smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCNCC2)ncc1C[NH3+] ZINC000072223571 259321534 /nfs/dbraw/zinc/32/15/34/259321534.db2.gz DOYCRYNZENFFMP-UHFFFAOYSA-N 1 3 206.293 0.258 40 0 BCABHO CN(C(=O)[C@H]1CCCC[NH2+]1)C1CCN(C)CC1 ZINC000019473249 343773849 /nfs/dbraw/zinc/77/38/49/343773849.db2.gz VWLJXHIBUDWHQI-GFCCVEGCSA-N 1 3 239.363 0.681 40 0 BCABHO CC(=O)N1CCC(N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000310060007 343790518 /nfs/dbraw/zinc/79/05/18/343790518.db2.gz KPCAPGSRZVXTQD-LBPRGKRZSA-N 1 3 239.363 0.668 40 0 BCABHO CC(=O)N1CCC([N@@H+]2CCC[C@@H](CN)C2)CC1 ZINC000310060007 343790519 /nfs/dbraw/zinc/79/05/19/343790519.db2.gz KPCAPGSRZVXTQD-LBPRGKRZSA-N 1 3 239.363 0.668 40 0 BCABHO CC(=O)N1CCC([N@H+]2CCC[C@@H](CN)C2)CC1 ZINC000310060007 343790520 /nfs/dbraw/zinc/79/05/20/343790520.db2.gz KPCAPGSRZVXTQD-LBPRGKRZSA-N 1 3 239.363 0.668 40 0 BCABHO C[NH+]1CCC(Cn2cc(CN)nn2)CC1 ZINC000409428303 343802967 /nfs/dbraw/zinc/80/29/67/343802967.db2.gz ZPPOYNVNBMASFQ-UHFFFAOYSA-N 1 3 209.297 0.079 40 0 BCABHO CO[C@@H]1CCO[C@]2(CCCN(CCC[NH3+])C2)C1 ZINC000409426973 343799383 /nfs/dbraw/zinc/79/93/83/343799383.db2.gz DKWDUVJHNCYZOB-CHWSQXEVSA-N 1 3 242.363 0.995 40 0 BCABHO C(C1CC1)[N@@H+]1CCOC[C@H]2CNCC[C@H]21 ZINC000409422215 343812923 /nfs/dbraw/zinc/81/29/23/343812923.db2.gz BXMFUKKNXYSGGE-VXGBXAGGSA-N 1 3 210.321 0.707 40 0 BCABHO C(C1CC1)[N@H+]1CCOC[C@H]2CNCC[C@H]21 ZINC000409422215 343812924 /nfs/dbraw/zinc/81/29/24/343812924.db2.gz BXMFUKKNXYSGGE-VXGBXAGGSA-N 1 3 210.321 0.707 40 0 BCABHO C(C1CC1)N1CCOC[C@H]2C[NH2+]CC[C@H]21 ZINC000409422215 343812925 /nfs/dbraw/zinc/81/29/25/343812925.db2.gz BXMFUKKNXYSGGE-VXGBXAGGSA-N 1 3 210.321 0.707 40 0 BCABHO NCc1cn(C[C@@H]([NH3+])c2ccccc2)nn1 ZINC000409424904 343817597 /nfs/dbraw/zinc/81/75/97/343817597.db2.gz IOHKZFYKTFPAIP-LLVKDONJSA-N 1 3 217.276 0.437 40 0 BCABHO C[C@@H](O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000409425149 343818283 /nfs/dbraw/zinc/81/82/83/343818283.db2.gz FFFIXTAJALOUFL-MNOVXSKESA-N 1 3 212.337 0.831 40 0 BCABHO C[C@@H](O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000409425149 343818286 /nfs/dbraw/zinc/81/82/86/343818286.db2.gz FFFIXTAJALOUFL-MNOVXSKESA-N 1 3 212.337 0.831 40 0 BCABHO C[C@@H](O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000409425149 343818288 /nfs/dbraw/zinc/81/82/88/343818288.db2.gz FFFIXTAJALOUFL-MNOVXSKESA-N 1 3 212.337 0.831 40 0 BCABHO NCCC[N@@H+]1C[C@H]2CCCC[C@]2(CO)C1 ZINC000409426372 343822595 /nfs/dbraw/zinc/82/25/95/343822595.db2.gz CDUFPKPAHHGJGX-VXGBXAGGSA-N 1 3 212.337 0.820 40 0 BCABHO NCCC[N@H+]1C[C@H]2CCCC[C@]2(CO)C1 ZINC000409426372 343822597 /nfs/dbraw/zinc/82/25/97/343822597.db2.gz CDUFPKPAHHGJGX-VXGBXAGGSA-N 1 3 212.337 0.820 40 0 BCABHO CC[C@H]1C[N@@H+](C2CCNCC2)CC[C@@H]1O ZINC000409432026 343825083 /nfs/dbraw/zinc/82/50/83/343825083.db2.gz KNHRFPBYHWYMHA-JQWIXIFHSA-N 1 3 212.337 0.831 40 0 BCABHO CC[C@H]1C[N@H+](C2CCNCC2)CC[C@@H]1O ZINC000409432026 343825085 /nfs/dbraw/zinc/82/50/85/343825085.db2.gz KNHRFPBYHWYMHA-JQWIXIFHSA-N 1 3 212.337 0.831 40 0 BCABHO CC[C@H]1CN(C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409432026 343825088 /nfs/dbraw/zinc/82/50/88/343825088.db2.gz KNHRFPBYHWYMHA-JQWIXIFHSA-N 1 3 212.337 0.831 40 0 BCABHO CC[C@@H]1C[N@@H+](C2CCNCC2)CC[C@H]1O ZINC000409432029 343825256 /nfs/dbraw/zinc/82/52/56/343825256.db2.gz KNHRFPBYHWYMHA-ZYHUDNBSSA-N 1 3 212.337 0.831 40 0 BCABHO CC[C@@H]1C[N@H+](C2CCNCC2)CC[C@H]1O ZINC000409432029 343825259 /nfs/dbraw/zinc/82/52/59/343825259.db2.gz KNHRFPBYHWYMHA-ZYHUDNBSSA-N 1 3 212.337 0.831 40 0 BCABHO CC[C@@H]1CN(C2CC[NH2+]CC2)CC[C@H]1O ZINC000409432029 343825260 /nfs/dbraw/zinc/82/52/60/343825260.db2.gz KNHRFPBYHWYMHA-ZYHUDNBSSA-N 1 3 212.337 0.831 40 0 BCABHO C[N@H+](C1CC1)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000101677030 347287283 /nfs/dbraw/zinc/28/72/83/347287283.db2.gz SUSXUPCMBSPIBV-GHMZBOCLSA-N 1 3 225.336 0.467 40 0 BCABHO C[N@@H+](C1CC1)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000101677030 347287285 /nfs/dbraw/zinc/28/72/85/347287285.db2.gz SUSXUPCMBSPIBV-GHMZBOCLSA-N 1 3 225.336 0.467 40 0 BCABHO Cc1nn(C)cc1CN(C)CCCC[NH3+] ZINC000096523773 180373434 /nfs/dbraw/zinc/37/34/34/180373434.db2.gz CUCDHZGAOYSMGF-UHFFFAOYSA-N 1 3 210.325 0.899 40 0 BCABHO CC(C)[N@H+](C)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079419344 188291705 /nfs/dbraw/zinc/29/17/05/188291705.db2.gz OWHBLDUFFFRUGE-QWRGUYRKSA-N 1 3 227.352 0.713 40 0 BCABHO CC(C)[N@@H+](C)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079419344 188291708 /nfs/dbraw/zinc/29/17/08/188291708.db2.gz OWHBLDUFFFRUGE-QWRGUYRKSA-N 1 3 227.352 0.713 40 0 BCABHO c1cnc(N2CCNCC2)c([C@@H]2CCC[NH2+]2)c1 ZINC000072216324 259528027 /nfs/dbraw/zinc/52/80/27/259528027.db2.gz CKKABBROOPQCAA-LBPRGKRZSA-N 1 3 232.331 0.916 40 0 BCABHO CN(C)C[C@H]1CC(=O)[C@@H](C[NH+](C)C)CC1=O ZINC000001717765 383928815 /nfs/dbraw/zinc/92/88/15/383928815.db2.gz QINBNIQHVSHFQT-NXEZZACHSA-N 1 3 226.320 0.274 40 0 BCABHO CCN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H](C)N ZINC000079407239 384134842 /nfs/dbraw/zinc/13/48/42/384134842.db2.gz GHQCYMBMHGDENQ-WDEREUQCSA-N 1 3 227.352 0.524 40 0 BCABHO CCN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H](C)N ZINC000079407239 384134849 /nfs/dbraw/zinc/13/48/49/384134849.db2.gz GHQCYMBMHGDENQ-WDEREUQCSA-N 1 3 227.352 0.524 40 0 BCABHO CN(C(=O)CN)C1CCC([NH+](C)C)CC1 ZINC000079406831 384135666 /nfs/dbraw/zinc/13/56/66/384135666.db2.gz OLLUJJASVWGFSQ-UHFFFAOYSA-N 1 3 213.325 0.276 40 0 BCABHO CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CCN(C)C1 ZINC000079407557 384136125 /nfs/dbraw/zinc/13/61/25/384136125.db2.gz VDXPIBBHZUJSPU-QWRGUYRKSA-N 1 3 227.352 0.522 40 0 BCABHO CCN(C(=O)CN)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406913 384137038 /nfs/dbraw/zinc/13/70/38/384137038.db2.gz QXGGMYDCPOVOOW-WDEREUQCSA-N 1 3 227.352 0.666 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@H]([N@H+](C)C2CC2)C1 ZINC000079419492 384142611 /nfs/dbraw/zinc/14/26/11/384142611.db2.gz BXZYKXSUWWNZEA-ONGXEEELSA-N 1 3 225.336 0.419 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@H]([N@@H+](C)C2CC2)C1 ZINC000079419492 384142614 /nfs/dbraw/zinc/14/26/14/384142614.db2.gz BXZYKXSUWWNZEA-ONGXEEELSA-N 1 3 225.336 0.419 40 0 BCABHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079419416 384144196 /nfs/dbraw/zinc/14/41/96/384144196.db2.gz IFBTYPAODSZQII-VHSXEESVSA-N 1 3 213.325 0.275 40 0 BCABHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079419416 384144198 /nfs/dbraw/zinc/14/41/98/384144198.db2.gz IFBTYPAODSZQII-VHSXEESVSA-N 1 3 213.325 0.275 40 0 BCABHO CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)CN ZINC000079419305 384144212 /nfs/dbraw/zinc/14/42/12/384144212.db2.gz NSGQVMJZISJCPI-SNVBAGLBSA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)CN ZINC000079419305 384144214 /nfs/dbraw/zinc/14/42/14/384144214.db2.gz NSGQVMJZISJCPI-SNVBAGLBSA-N 1 3 213.325 0.276 40 0 BCABHO C[C@H](N)C(=O)N1CCCC[C@H]1C[N@H+](C)C1CC1 ZINC000079419509 384144238 /nfs/dbraw/zinc/14/42/38/384144238.db2.gz XJEFNDJOLXCQHN-JQWIXIFHSA-N 1 3 239.363 0.809 40 0 BCABHO C[C@H](N)C(=O)N1CCCC[C@H]1C[N@@H+](C)C1CC1 ZINC000079419509 384144241 /nfs/dbraw/zinc/14/42/41/384144241.db2.gz XJEFNDJOLXCQHN-JQWIXIFHSA-N 1 3 239.363 0.809 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@H]1C[N@H+](C)C1CC1 ZINC000079419480 384145009 /nfs/dbraw/zinc/14/50/09/384145009.db2.gz VROROZNMFSWNNI-ONGXEEELSA-N 1 3 225.336 0.419 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@H]1C[N@@H+](C)C1CC1 ZINC000079419480 384145014 /nfs/dbraw/zinc/14/50/14/384145014.db2.gz VROROZNMFSWNNI-ONGXEEELSA-N 1 3 225.336 0.419 40 0 BCABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177537 384283229 /nfs/dbraw/zinc/28/32/29/384283229.db2.gz RJCXBOCPEFGANO-TUAOUCFPSA-N 1 3 241.379 0.959 40 0 BCABHO C[C@H](N)C(=O)N(C)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407164 384492815 /nfs/dbraw/zinc/49/28/15/384492815.db2.gz BUTQYGAROIBXNU-DCAQKATOSA-N 1 3 227.352 0.665 40 0 BCABHO CN(C)c1cccc(NC(=N)NC(N)=[NH2+])c1 ZINC000255189705 385005587 /nfs/dbraw/zinc/00/55/87/385005587.db2.gz RMKRPRMYZCVNIU-UHFFFAOYSA-N 1 3 220.280 0.582 40 0 BCABHO CN(C)c1cccc(NC(=[NH2+])NC(=N)N)c1 ZINC000255189705 385005595 /nfs/dbraw/zinc/00/55/95/385005595.db2.gz RMKRPRMYZCVNIU-UHFFFAOYSA-N 1 3 220.280 0.582 40 0 BCABHO Cc1cc(N2CCNCC2)ncc1[C@@H](C)[NH3+] ZINC000072223581 385113907 /nfs/dbraw/zinc/11/39/07/385113907.db2.gz IMHLOZRFKLMBGO-SNVBAGLBSA-N 1 3 220.320 0.819 40 0 BCABHO CSCC[C@@H]([NH3+])CN1CCCN(C)CC1 ZINC000096523842 385267952 /nfs/dbraw/zinc/26/79/52/385267952.db2.gz RZYMZNXQGMTMKD-LLVKDONJSA-N 1 3 231.409 0.704 40 0 BCABHO CCS(=O)(=O)[C@]1(CN)C[C@@H](C[NH3+])C[C@@H]1C ZINC000096532548 385285533 /nfs/dbraw/zinc/28/55/33/385285533.db2.gz BPSSMVVYPCRBDD-GUBZILKMSA-N 1 3 234.365 0.123 40 0 BCABHO CN1CCC(c2nnc(CC[NH3+])o2)CC1 ZINC000095828882 173002629 /nfs/dbraw/zinc/00/26/29/173002629.db2.gz RCDHVXMJKAGFFX-UHFFFAOYSA-N 1 3 210.281 0.380 40 0 BCABHO CN1CCCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000020217634 173013276 /nfs/dbraw/zinc/01/32/76/173013276.db2.gz BOUWIZCGCNHTQB-LBPRGKRZSA-N 1 3 211.353 0.766 40 0 BCABHO CC[NH+](CC)CCNC(=O)CNC1CC1 ZINC000037476889 323107595 /nfs/dbraw/zinc/10/75/95/323107595.db2.gz MFXDZMOWQYJKSD-UHFFFAOYSA-N 1 3 213.325 0.196 40 0 BCABHO CN(C(=O)CN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242592188 522105914 /nfs/dbraw/zinc/10/59/14/522105914.db2.gz OLLUJJASVWGFSQ-MGCOHNPYSA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063122322 187324600 /nfs/dbraw/zinc/32/46/00/187324600.db2.gz LRPHHSGGOGPCMT-LBPRGKRZSA-N 1 3 241.379 0.770 40 0 BCABHO CN1CC[C@H](O)[C@@H](C[C@H]2CCCC[NH2+]2)C1 ZINC000242522415 259326358 /nfs/dbraw/zinc/32/63/58/259326358.db2.gz ISBDAGONLADELG-TUAOUCFPSA-N 1 3 212.337 0.831 40 0 BCABHO CN1CC[C@H](O)[C@@H](C[C@@H]2CCC[NH2+]C2)C1 ZINC000242463486 398314286 /nfs/dbraw/zinc/31/42/86/398314286.db2.gz DCXKJKJIJXJQFF-SRVKXCTJSA-N 1 3 212.337 0.689 40 0 BCABHO CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000079407519 187262873 /nfs/dbraw/zinc/26/28/73/187262873.db2.gz GIGLMGBJAUIDLG-NEPJUHHUSA-N 1 3 241.379 0.770 40 0 BCABHO CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000079407519 187262874 /nfs/dbraw/zinc/26/28/74/187262874.db2.gz GIGLMGBJAUIDLG-NEPJUHHUSA-N 1 3 241.379 0.770 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@H]([N@H+](C)C2CC2)C1 ZINC000079419622 187263049 /nfs/dbraw/zinc/26/30/49/187263049.db2.gz PPDCLTWNXQQLBR-RYUDHWBXSA-N 1 3 239.363 0.665 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC000079419622 187263051 /nfs/dbraw/zinc/26/30/51/187263051.db2.gz PPDCLTWNXQQLBR-RYUDHWBXSA-N 1 3 239.363 0.665 40 0 BCABHO C[N@@H+]1CCC[C@@H](Cn2cc(CN)nn2)C1 ZINC000409424265 343817278 /nfs/dbraw/zinc/81/72/78/343817278.db2.gz GKQIUIYOFHAUOP-SECBINFHSA-N 1 3 209.297 0.079 40 0 BCABHO C[N@H+]1CCC[C@@H](Cn2cc(CN)nn2)C1 ZINC000409424265 343817280 /nfs/dbraw/zinc/81/72/80/343817280.db2.gz GKQIUIYOFHAUOP-SECBINFHSA-N 1 3 209.297 0.079 40 0 BCABHO CC[C@@H]1C[N@@H+](C2CCNCC2)CC[C@@H]1O ZINC000409432028 343825276 /nfs/dbraw/zinc/82/52/76/343825276.db2.gz KNHRFPBYHWYMHA-PWSUYJOCSA-N 1 3 212.337 0.831 40 0 BCABHO CC[C@@H]1C[N@H+](C2CCNCC2)CC[C@@H]1O ZINC000409432028 343825278 /nfs/dbraw/zinc/82/52/78/343825278.db2.gz KNHRFPBYHWYMHA-PWSUYJOCSA-N 1 3 212.337 0.831 40 0 BCABHO CC[C@@H]1CN(C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409432028 343825280 /nfs/dbraw/zinc/82/52/80/343825280.db2.gz KNHRFPBYHWYMHA-PWSUYJOCSA-N 1 3 212.337 0.831 40 0 BCABHO Cc1nc(N)cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)n1 ZINC000409429908 343806545 /nfs/dbraw/zinc/80/65/45/343806545.db2.gz JYXGZDZNEUMPTJ-UWVGGRQHSA-N 1 3 233.319 0.365 40 0 BCABHO C[C@@H](N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000409434423 343831621 /nfs/dbraw/zinc/83/16/21/343831621.db2.gz PCZGEMXPGOXRQQ-SNVBAGLBSA-N 1 3 234.303 0.077 40 0 BCABHO CC(C)(C)OC(=O)N1CC(CN)(C[NH3+])C1 ZINC000409433356 343832341 /nfs/dbraw/zinc/83/23/41/343832341.db2.gz RKVLOTJYDIXLDZ-UHFFFAOYSA-N 1 3 215.297 0.141 40 0 BCABHO Cc1nc(N(C)C)cc(N2CCC([NH3+])CC2)n1 ZINC000258908921 345787030 /nfs/dbraw/zinc/78/70/30/345787030.db2.gz HGLZURXSMXVAOR-UHFFFAOYSA-N 1 3 235.335 0.779 40 0 BCABHO CC(C)N(C[C@H]1CC[N@H+](C)C1)C(=O)CN ZINC000079406947 188291381 /nfs/dbraw/zinc/29/13/81/188291381.db2.gz VZLPWAURGYKFNC-JTQLQIEISA-N 1 3 213.325 0.134 40 0 BCABHO CC(C)N(C[C@H]1CC[N@@H+](C)C1)C(=O)CN ZINC000079406947 188291382 /nfs/dbraw/zinc/29/13/82/188291382.db2.gz VZLPWAURGYKFNC-JTQLQIEISA-N 1 3 213.325 0.134 40 0 BCABHO CC(C)[N@H+](C)C[C@H]1CCN(C(=O)CN)C1 ZINC000079419309 188292068 /nfs/dbraw/zinc/29/20/68/188292068.db2.gz WHECSIFRZNGWTR-SNVBAGLBSA-N 1 3 213.325 0.134 40 0 BCABHO CC(C)[N@@H+](C)C[C@H]1CCN(C(=O)CN)C1 ZINC000079419309 188292070 /nfs/dbraw/zinc/29/20/70/188292070.db2.gz WHECSIFRZNGWTR-SNVBAGLBSA-N 1 3 213.325 0.134 40 0 BCABHO [NH3+]CCn1cc(CN2CCCCC2)cn1 ZINC000090397979 384044492 /nfs/dbraw/zinc/04/44/92/384044492.db2.gz WLRKSCLPOVUWTF-UHFFFAOYSA-N 1 3 208.309 0.828 40 0 BCABHO C[C@H](N)C(=O)N(C)C1CCC([NH+](C)C)CC1 ZINC000079407154 384136487 /nfs/dbraw/zinc/13/64/87/384136487.db2.gz LBMFZWJKOGFOBV-WHXUTIOJSA-N 1 3 227.352 0.665 40 0 BCABHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 ZINC000079415147 384136892 /nfs/dbraw/zinc/13/68/92/384136892.db2.gz MRKSBRCQDFPUEY-CYBMUJFWSA-N 1 3 247.342 0.678 40 0 BCABHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 ZINC000079415147 384136900 /nfs/dbraw/zinc/13/69/00/384136900.db2.gz MRKSBRCQDFPUEY-CYBMUJFWSA-N 1 3 247.342 0.678 40 0 BCABHO CC(C)N(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H](C)N ZINC000079407288 384137373 /nfs/dbraw/zinc/13/73/73/384137373.db2.gz FYIRBHNCISWVJD-WDEREUQCSA-N 1 3 227.352 0.522 40 0 BCABHO CC(C)N(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H](C)N ZINC000079407288 384137376 /nfs/dbraw/zinc/13/73/76/384137376.db2.gz FYIRBHNCISWVJD-WDEREUQCSA-N 1 3 227.352 0.522 40 0 BCABHO C[N@H+](C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079424926 384146724 /nfs/dbraw/zinc/14/67/24/384146724.db2.gz SUSXUPCMBSPIBV-WDEREUQCSA-N 1 3 225.336 0.467 40 0 BCABHO C[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079424926 384146725 /nfs/dbraw/zinc/14/67/25/384146725.db2.gz SUSXUPCMBSPIBV-WDEREUQCSA-N 1 3 225.336 0.467 40 0 BCABHO CC(C)[N@H+](C)C1CCN(C(=O)CN)CC1 ZINC000079419322 384143322 /nfs/dbraw/zinc/14/33/22/384143322.db2.gz BDPZGFOSRYPEQB-UHFFFAOYSA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[N@@H+](C)C1CCN(C(=O)CN)CC1 ZINC000079419322 384143331 /nfs/dbraw/zinc/14/33/31/384143331.db2.gz BDPZGFOSRYPEQB-UHFFFAOYSA-N 1 3 213.325 0.276 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@H+](C)C1CC1 ZINC000079419535 384144940 /nfs/dbraw/zinc/14/49/40/384144940.db2.gz ODYVHPRLYYAJPJ-ZMLRMANQSA-N 1 3 239.363 0.855 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@@H+](C)C1CC1 ZINC000079419535 384144941 /nfs/dbraw/zinc/14/49/41/384144941.db2.gz ODYVHPRLYYAJPJ-ZMLRMANQSA-N 1 3 239.363 0.855 40 0 BCABHO C[C@H](N)C(=O)N(C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177564 384282920 /nfs/dbraw/zinc/28/29/20/384282920.db2.gz LBMFZWJKOGFOBV-GARJFASQSA-N 1 3 227.352 0.665 40 0 BCABHO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H](N)C(C)C ZINC000079407575 384492365 /nfs/dbraw/zinc/49/23/65/384492365.db2.gz XHGUFNKTRQMTAX-NEPJUHHUSA-N 1 3 241.379 0.770 40 0 BCABHO CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H](N)C(C)C ZINC000079407575 384492372 /nfs/dbraw/zinc/49/23/72/384492372.db2.gz XHGUFNKTRQMTAX-NEPJUHHUSA-N 1 3 241.379 0.770 40 0 BCABHO CC[C@H]([NH3+])c1ccc(N2CCNCC2)nc1 ZINC000072225514 385109667 /nfs/dbraw/zinc/10/96/67/385109667.db2.gz UTSDIMKUCDOSDJ-NSHDSACASA-N 1 3 220.320 0.901 40 0 BCABHO c1cc(N2CCNCC2)ncc1[C@H]1CCC[NH2+]1 ZINC000072216265 385095112 /nfs/dbraw/zinc/09/51/12/385095112.db2.gz UODUNAZWULACRR-GFCCVEGCSA-N 1 3 232.331 0.916 40 0 BCABHO C[NH+](C)C[C@@H]1C[C@H](O)[C@H](O)[C@H]1N1CCCCC1 ZINC000257234380 385755614 /nfs/dbraw/zinc/75/56/14/385755614.db2.gz GTGVCLILIVHDOC-CYDGBPFRSA-N 1 3 242.363 0.144 40 0 BCABHO CC(C)(C)OC(=O)N[C@H](N)CCC[NH3+] ZINC000077032262 387164156 /nfs/dbraw/zinc/16/41/56/387164156.db2.gz AUXKRFIFWCPTNG-ZETCQYMHSA-N 1 3 203.286 0.535 40 0 BCABHO CS(=O)(=O)C1(CN2CCCC2)CC[NH2+]CC1 ZINC000217930559 388383623 /nfs/dbraw/zinc/38/36/23/388383623.db2.gz IUVSIVHWEDNUJV-UHFFFAOYSA-N 1 3 246.376 0.249 40 0 BCABHO CN(C(=O)CN)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079406836 172308468 /nfs/dbraw/zinc/30/84/68/172308468.db2.gz SINGDZPSPZDUAI-ZJUUUORDSA-N 1 3 213.325 0.276 40 0 BCABHO C[NH2+]Cc1cnc(N2CCNCC2)c(C)c1 ZINC000072222546 259320955 /nfs/dbraw/zinc/32/09/55/259320955.db2.gz LKFQBTFYGDWGQH-UHFFFAOYSA-N 1 3 220.320 0.519 40 0 BCABHO CC[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000095096500 346932877 /nfs/dbraw/zinc/93/28/77/346932877.db2.gz DNIQSYZEBGCNGC-SNVBAGLBSA-N 1 3 209.297 0.394 40 0 BCABHO CC[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000095096500 346932879 /nfs/dbraw/zinc/93/28/79/346932879.db2.gz DNIQSYZEBGCNGC-SNVBAGLBSA-N 1 3 209.297 0.394 40 0 BCABHO CC(C)[N@H+](CCN)C[C@@H]1CCCN(C)C1 ZINC000079406300 187263118 /nfs/dbraw/zinc/26/31/18/187263118.db2.gz BJHZSMSLDOULJM-GFCCVEGCSA-N 1 3 213.369 0.997 40 0 BCABHO CC(C)[N@@H+](CCN)C[C@@H]1CCCN(C)C1 ZINC000079406300 187263120 /nfs/dbraw/zinc/26/31/20/187263120.db2.gz BJHZSMSLDOULJM-GFCCVEGCSA-N 1 3 213.369 0.997 40 0 BCABHO CC(C)C[N@@H+]1CCOC[C@@H]2CNCC[C@@H]21 ZINC000409423236 343814817 /nfs/dbraw/zinc/81/48/17/343814817.db2.gz MTKMILKXAJGUJB-RYUDHWBXSA-N 1 3 212.337 0.953 40 0 BCABHO CC(C)C[N@H+]1CCOC[C@@H]2CNCC[C@@H]21 ZINC000409423236 343814819 /nfs/dbraw/zinc/81/48/19/343814819.db2.gz MTKMILKXAJGUJB-RYUDHWBXSA-N 1 3 212.337 0.953 40 0 BCABHO CC(C)CN1CCOC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000409423236 343814821 /nfs/dbraw/zinc/81/48/21/343814821.db2.gz MTKMILKXAJGUJB-RYUDHWBXSA-N 1 3 212.337 0.953 40 0 BCABHO COC[C@@H]1C[N@H+](CCCN)CC1(C)C ZINC000409425620 343819901 /nfs/dbraw/zinc/81/99/01/343819901.db2.gz BACLRCQJCYPHEV-JTQLQIEISA-N 1 3 200.326 0.940 40 0 BCABHO COC[C@@H]1C[N@@H+](CCCN)CC1(C)C ZINC000409425620 343819903 /nfs/dbraw/zinc/81/99/03/343819903.db2.gz BACLRCQJCYPHEV-JTQLQIEISA-N 1 3 200.326 0.940 40 0 BCABHO COC[C@@H]1CN(CCC[NH3+])CC1(C)C ZINC000409425620 343819905 /nfs/dbraw/zinc/81/99/05/343819905.db2.gz BACLRCQJCYPHEV-JTQLQIEISA-N 1 3 200.326 0.940 40 0 BCABHO CCOC[C@@H]1C[N@H+](CCCN)C[C@@H]1C ZINC000409432635 343827089 /nfs/dbraw/zinc/82/70/89/343827089.db2.gz LMFCFPZOLHQXRO-QWRGUYRKSA-N 1 3 200.326 0.940 40 0 BCABHO CCOC[C@@H]1C[N@@H+](CCCN)C[C@@H]1C ZINC000409432635 343827092 /nfs/dbraw/zinc/82/70/92/343827092.db2.gz LMFCFPZOLHQXRO-QWRGUYRKSA-N 1 3 200.326 0.940 40 0 BCABHO CN1CCC[C@H]1Cc1nc(CC[NH3+])no1 ZINC000258051832 345780369 /nfs/dbraw/zinc/78/03/69/345780369.db2.gz PDBYACPCGXLSMD-QMMMGPOBSA-N 1 3 210.281 0.208 40 0 BCABHO [NH3+]CCN1CCN([C@@H]2CCSC2)CC1 ZINC000257755932 345781752 /nfs/dbraw/zinc/78/17/52/345781752.db2.gz OPHSDHJPLZZHIU-SNVBAGLBSA-N 1 3 215.366 0.068 40 0 BCABHO CC(C)[N@H+](C)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000101676984 347287795 /nfs/dbraw/zinc/28/77/95/347287795.db2.gz OWHBLDUFFFRUGE-MNOVXSKESA-N 1 3 227.352 0.713 40 0 BCABHO CC(C)[N@@H+](C)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000101676984 347287799 /nfs/dbraw/zinc/28/77/99/347287799.db2.gz OWHBLDUFFFRUGE-MNOVXSKESA-N 1 3 227.352 0.713 40 0 BCABHO C[NH+]1CCC(CCn2cc(CN)nn2)CC1 ZINC000409424725 350475814 /nfs/dbraw/zinc/47/58/14/350475814.db2.gz HVVYZXZFDJYTTE-UHFFFAOYSA-N 1 3 223.324 0.469 40 0 BCABHO CN(C[C@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000020073277 363147440 /nfs/dbraw/zinc/14/74/40/363147440.db2.gz JLFPYNBENDEXLN-LLVKDONJSA-N 1 3 211.353 0.764 40 0 BCABHO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000079407452 188291831 /nfs/dbraw/zinc/29/18/31/188291831.db2.gz AWKZFUDBIYSRKO-UWVGGRQHSA-N 1 3 213.325 0.180 40 0 BCABHO [NH3+]CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000035018167 181353014 /nfs/dbraw/zinc/35/30/14/181353014.db2.gz YPWKQQRQPOSWHR-GFCCVEGCSA-N 1 3 233.315 0.336 40 0 BCABHO CC(C)[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000070822473 383965716 /nfs/dbraw/zinc/96/57/16/383965716.db2.gz AWLKTGXMEDABLA-QWRGUYRKSA-N 1 3 227.352 0.380 40 0 BCABHO CC(C)[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000070822473 383965718 /nfs/dbraw/zinc/96/57/18/383965718.db2.gz AWLKTGXMEDABLA-QWRGUYRKSA-N 1 3 227.352 0.380 40 0 BCABHO C[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000079407415 384137913 /nfs/dbraw/zinc/13/79/13/384137913.db2.gz ZREKNIHHRZIIQW-WDEREUQCSA-N 1 3 239.363 0.666 40 0 BCABHO C[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000079407415 384137919 /nfs/dbraw/zinc/13/79/19/384137919.db2.gz ZREKNIHHRZIIQW-WDEREUQCSA-N 1 3 239.363 0.666 40 0 BCABHO C[NH+](C)[C@@H]1CCCC[C@H]1N(C(=O)CN)C1CC1 ZINC000079407084 384137935 /nfs/dbraw/zinc/13/79/35/384137935.db2.gz VPPVCXMYHRHOGJ-VXGBXAGGSA-N 1 3 239.363 0.809 40 0 BCABHO CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C)C1 ZINC000079407496 384134945 /nfs/dbraw/zinc/13/49/45/384134945.db2.gz RWUFYIGFHGPTBN-ZJUUUORDSA-N 1 3 213.325 0.132 40 0 BCABHO CC(C)N(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H](C)N ZINC000079407290 384135836 /nfs/dbraw/zinc/13/58/36/384135836.db2.gz FYIRBHNCISWVJD-QWRGUYRKSA-N 1 3 227.352 0.522 40 0 BCABHO CC(C)N(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H](C)N ZINC000079407290 384135838 /nfs/dbraw/zinc/13/58/38/384135838.db2.gz FYIRBHNCISWVJD-QWRGUYRKSA-N 1 3 227.352 0.522 40 0 BCABHO CC(C)N(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H](C)N ZINC000079407285 384136254 /nfs/dbraw/zinc/13/62/54/384136254.db2.gz AILVBEINJVIWCI-WDEREUQCSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)N(C[C@H]1CCC[N@H+]1C)C(=O)[C@H](C)N ZINC000079407285 384136257 /nfs/dbraw/zinc/13/62/57/384136257.db2.gz AILVBEINJVIWCI-WDEREUQCSA-N 1 3 227.352 0.665 40 0 BCABHO C[NH+](C)[C@H]1CCCC[C@H]1N(C(=O)CN)C1CC1 ZINC000079407089 384136997 /nfs/dbraw/zinc/13/69/97/384136997.db2.gz VPPVCXMYHRHOGJ-NWDGAFQWSA-N 1 3 239.363 0.809 40 0 BCABHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407109 384137418 /nfs/dbraw/zinc/13/74/18/384137418.db2.gz WBVLEMOBQLWAOK-AEJSXWLSSA-N 1 3 213.325 0.323 40 0 BCABHO CC(C)[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079419427 384142237 /nfs/dbraw/zinc/14/22/37/384142237.db2.gz CMOGMHHVHYNUEG-QWRGUYRKSA-N 1 3 227.352 0.522 40 0 BCABHO CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079419427 384142243 /nfs/dbraw/zinc/14/22/43/384142243.db2.gz CMOGMHHVHYNUEG-QWRGUYRKSA-N 1 3 227.352 0.522 40 0 BCABHO C[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)C2CC2)C1 ZINC000079419486 384142884 /nfs/dbraw/zinc/14/28/84/384142884.db2.gz CUKRQMHIJBTQQN-UWVGGRQHSA-N 1 3 225.336 0.276 40 0 BCABHO C[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)C2CC2)C1 ZINC000079419486 384142891 /nfs/dbraw/zinc/14/28/91/384142891.db2.gz CUKRQMHIJBTQQN-UWVGGRQHSA-N 1 3 225.336 0.276 40 0 BCABHO CCN(C(=O)CN)C1CCC([NH+](C)C)CC1 ZINC000079406910 384493988 /nfs/dbraw/zinc/49/39/88/384493988.db2.gz IMEIFURLLCULBI-UHFFFAOYSA-N 1 3 227.352 0.666 40 0 BCABHO CC[C@@H]([NH3+])c1ccc(N2CCNCC2)nc1 ZINC000072225515 385110618 /nfs/dbraw/zinc/11/06/18/385110618.db2.gz UTSDIMKUCDOSDJ-LLVKDONJSA-N 1 3 220.320 0.901 40 0 BCABHO CC(C)(C)OC(=O)N[C@@H](N)CCC[NH3+] ZINC000077032269 387163356 /nfs/dbraw/zinc/16/33/56/387163356.db2.gz AUXKRFIFWCPTNG-SSDOTTSWSA-N 1 3 203.286 0.535 40 0 BCABHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCN(C)C ZINC000087121977 135107147 /nfs/dbraw/zinc/10/71/47/135107147.db2.gz MHVQBDFSJRWPGK-VHSXEESVSA-N 1 3 213.325 0.052 40 0 BCABHO CC[C@H](C)[C@H]([NH3+])CN1CCCN(C)CC1 ZINC000020217795 171396909 /nfs/dbraw/zinc/39/69/09/171396909.db2.gz OIOOWQXSOJKXCN-NWDGAFQWSA-N 1 3 213.369 0.997 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](C)C2CC2)CC1 ZINC000249702793 524822778 /nfs/dbraw/zinc/82/27/78/524822778.db2.gz ZEKNMOYSTCUUIH-DCAQKATOSA-N 1 3 239.363 0.855 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](C)C2CC2)CC1 ZINC000249702793 524822768 /nfs/dbraw/zinc/82/27/68/524822768.db2.gz ZEKNMOYSTCUUIH-DCAQKATOSA-N 1 3 239.363 0.855 40 0 BCABHO CN1CCC([NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000225720449 536344745 /nfs/dbraw/zinc/34/47/45/536344745.db2.gz RCWJXZXIEZZDJZ-VXGBXAGGSA-N 1 3 211.353 0.940 40 0 BCABHO CN1CC[C@H](O)[C@@H](C[C@H]2CCC[NH2+]C2)C1 ZINC000242463491 398314107 /nfs/dbraw/zinc/31/41/07/398314107.db2.gz DCXKJKJIJXJQFF-WOPDTQHZSA-N 1 3 212.337 0.689 40 0 BCABHO CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079419447 187263768 /nfs/dbraw/zinc/26/37/68/187263768.db2.gz SXHDLPXFPJVZFD-NWDGAFQWSA-N 1 3 241.379 0.912 40 0 BCABHO CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079419447 187263770 /nfs/dbraw/zinc/26/37/70/187263770.db2.gz SXHDLPXFPJVZFD-NWDGAFQWSA-N 1 3 241.379 0.912 40 0 BCABHO C[C@@H](O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000409425148 343818090 /nfs/dbraw/zinc/81/80/90/343818090.db2.gz FFFIXTAJALOUFL-GHMZBOCLSA-N 1 3 212.337 0.831 40 0 BCABHO C[C@@H](O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000409425148 343818091 /nfs/dbraw/zinc/81/80/91/343818091.db2.gz FFFIXTAJALOUFL-GHMZBOCLSA-N 1 3 212.337 0.831 40 0 BCABHO C[C@@H](O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000409425148 343818092 /nfs/dbraw/zinc/81/80/92/343818092.db2.gz FFFIXTAJALOUFL-GHMZBOCLSA-N 1 3 212.337 0.831 40 0 BCABHO Cc1nc(NCCN(C)C)cc(OCC[NH3+])n1 ZINC000409431504 343823416 /nfs/dbraw/zinc/82/34/16/343823416.db2.gz VGDYBLMSZGNYEC-UHFFFAOYSA-N 1 3 239.323 0.096 40 0 BCABHO [NH3+]CCCN1CC[C@@H](O)[C@H](CC2CC2)C1 ZINC000409429431 343805540 /nfs/dbraw/zinc/80/55/40/343805540.db2.gz HKUSBGAKDTYWRT-VXGBXAGGSA-N 1 3 212.337 0.818 40 0 BCABHO Cc1nc(N)cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000409429894 343806741 /nfs/dbraw/zinc/80/67/41/343806741.db2.gz JYXGZDZNEUMPTJ-AOOOYVTPSA-N 1 3 233.319 0.365 40 0 BCABHO Cc1nc(N)cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000409429894 343806742 /nfs/dbraw/zinc/80/67/42/343806742.db2.gz JYXGZDZNEUMPTJ-AOOOYVTPSA-N 1 3 233.319 0.365 40 0 BCABHO OC[C@]12CCC[C@H]1C[N@@H+](C1CCNCC1)C2 ZINC000409430042 343807267 /nfs/dbraw/zinc/80/72/67/343807267.db2.gz IDZGLLKNRKPLNX-WCQYABFASA-N 1 3 224.348 0.833 40 0 BCABHO OC[C@]12CCC[C@H]1C[N@H+](C1CCNCC1)C2 ZINC000409430042 343807268 /nfs/dbraw/zinc/80/72/68/343807268.db2.gz IDZGLLKNRKPLNX-WCQYABFASA-N 1 3 224.348 0.833 40 0 BCABHO C[C@@H](O)[C@@H]1CCCC[N@@H+]1C1CCNCC1 ZINC000409430562 343808742 /nfs/dbraw/zinc/80/87/42/343808742.db2.gz QRNKRPGQSFSCAZ-PWSUYJOCSA-N 1 3 212.337 0.974 40 0 BCABHO C[C@@H](O)[C@@H]1CCCC[N@H+]1C1CCNCC1 ZINC000409430562 343808744 /nfs/dbraw/zinc/80/87/44/343808744.db2.gz QRNKRPGQSFSCAZ-PWSUYJOCSA-N 1 3 212.337 0.974 40 0 BCABHO C[C@@H](O)[C@@H]1CCCCN1C1CC[NH2+]CC1 ZINC000409430562 343808745 /nfs/dbraw/zinc/80/87/45/343808745.db2.gz QRNKRPGQSFSCAZ-PWSUYJOCSA-N 1 3 212.337 0.974 40 0 BCABHO C[C@H](O)[C@@H]1CCCC[N@@H+]1C1CCNCC1 ZINC000409430561 343808750 /nfs/dbraw/zinc/80/87/50/343808750.db2.gz QRNKRPGQSFSCAZ-JQWIXIFHSA-N 1 3 212.337 0.974 40 0 BCABHO C[C@H](O)[C@@H]1CCCC[N@H+]1C1CCNCC1 ZINC000409430561 343808752 /nfs/dbraw/zinc/80/87/52/343808752.db2.gz QRNKRPGQSFSCAZ-JQWIXIFHSA-N 1 3 212.337 0.974 40 0 BCABHO C[C@H](O)[C@@H]1CCCCN1C1CC[NH2+]CC1 ZINC000409430561 343808754 /nfs/dbraw/zinc/80/87/54/343808754.db2.gz QRNKRPGQSFSCAZ-JQWIXIFHSA-N 1 3 212.337 0.974 40 0 BCABHO CO[C@H]1CCO[C@@]2(CCN(CCC[NH3+])C2)C1 ZINC000409435770 343839914 /nfs/dbraw/zinc/83/99/14/343839914.db2.gz WMCFOWCZFCLEQX-RYUDHWBXSA-N 1 3 228.336 0.605 40 0 BCABHO C1C[C@@H](N2CCNCC2)[C@H]([NH+]2CCCC2)C1 ZINC000409437743 343849006 /nfs/dbraw/zinc/84/90/06/343849006.db2.gz BDGSMQPSOLBFBT-CHWSQXEVSA-N 1 3 223.364 0.909 40 0 BCABHO [NH3+]CCCN1CCC(N2CCOCC2)CC1 ZINC000257757834 345781668 /nfs/dbraw/zinc/78/16/68/345781668.db2.gz SCVYJPZLLUYWMW-UHFFFAOYSA-N 1 3 227.352 0.132 40 0 BCABHO [NH3+]CCN1CCN(C2CCSCC2)CC1 ZINC000257743099 345781815 /nfs/dbraw/zinc/78/18/15/345781815.db2.gz CNNZOVHAUUGPNN-UHFFFAOYSA-N 1 3 229.393 0.458 40 0 BCABHO C[C@@H](N)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101726 348053987 /nfs/dbraw/zinc/05/39/87/348053987.db2.gz TYJQETGDPOFZFJ-SNVBAGLBSA-N 1 3 225.336 0.420 40 0 BCABHO NCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000019519602 181350888 /nfs/dbraw/zinc/35/08/88/181350888.db2.gz ICQYRHDWVYSXNL-UHFFFAOYSA-N 1 3 247.342 0.726 40 0 BCABHO NCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404057 181354549 /nfs/dbraw/zinc/35/45/49/181354549.db2.gz WNNQTIVNLONIOQ-CYBMUJFWSA-N 1 3 247.342 0.583 40 0 BCABHO NCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404057 181354550 /nfs/dbraw/zinc/35/45/50/181354550.db2.gz WNNQTIVNLONIOQ-CYBMUJFWSA-N 1 3 247.342 0.583 40 0 BCABHO NCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404072 181353721 /nfs/dbraw/zinc/35/37/21/181353721.db2.gz TWDBPFSITKTFCX-CYBMUJFWSA-N 1 3 247.342 0.726 40 0 BCABHO NCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404072 181353722 /nfs/dbraw/zinc/35/37/22/181353722.db2.gz TWDBPFSITKTFCX-CYBMUJFWSA-N 1 3 247.342 0.726 40 0 BCABHO [NH3+]CCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000002599551 181366746 /nfs/dbraw/zinc/36/67/46/181366746.db2.gz MAGXDJKALVIKKE-UHFFFAOYSA-N 1 3 239.363 0.812 40 0 BCABHO CCC[NH+]1CCC(n2cc(CN)nn2)CC1 ZINC000095096502 169191819 /nfs/dbraw/zinc/19/18/19/169191819.db2.gz LWDPNFFKKAEEFD-UHFFFAOYSA-N 1 3 223.324 0.784 40 0 BCABHO CCCN1CCN(C[C@H]([NH3+])C(C)C)CC1 ZINC000020073777 169203654 /nfs/dbraw/zinc/20/36/54/169203654.db2.gz HEGJRCBHBBBYSO-LBPRGKRZSA-N 1 3 213.369 0.997 40 0 BCABHO c1cc(CNCCN2CC[NH2+]CC2)ccn1 ZINC000022911716 183350711 /nfs/dbraw/zinc/35/07/11/183350711.db2.gz IBYTYGDHBRNVOK-UHFFFAOYSA-N 1 3 220.320 0.076 40 0 in-vitro BCABHO C[C@H](N)C(=O)N(C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000079407379 384137997 /nfs/dbraw/zinc/13/79/97/384137997.db2.gz YEZVOOKYYZSSNO-VHSXEESVSA-N 1 3 225.336 0.276 40 0 BCABHO C[C@H](N)C(=O)N(C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000079407379 384138000 /nfs/dbraw/zinc/13/80/00/384138000.db2.gz YEZVOOKYYZSSNO-VHSXEESVSA-N 1 3 225.336 0.276 40 0 BCABHO CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCCN(C)C1 ZINC000079407219 384134895 /nfs/dbraw/zinc/13/48/95/384134895.db2.gz QOTRYDVMFBFIOH-VHSXEESVSA-N 1 3 213.325 0.276 40 0 BCABHO CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCCN(C)C1 ZINC000079407222 384136006 /nfs/dbraw/zinc/13/60/06/384136006.db2.gz QOTRYDVMFBFIOH-UWVGGRQHSA-N 1 3 213.325 0.276 40 0 BCABHO C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407167 384136966 /nfs/dbraw/zinc/13/69/66/384136966.db2.gz BUTQYGAROIBXNU-HBNTYKKESA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)N(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H](C)N ZINC000079407335 384137006 /nfs/dbraw/zinc/13/70/06/384137006.db2.gz ALWHQJQWCWXQJX-RYUDHWBXSA-N 1 3 241.379 0.912 40 0 BCABHO CC(C)N(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H](C)N ZINC000079407335 384137009 /nfs/dbraw/zinc/13/70/09/384137009.db2.gz ALWHQJQWCWXQJX-RYUDHWBXSA-N 1 3 241.379 0.912 40 0 BCABHO C[NH+](C)[C@@H]1CCCC[C@@H]1N(C(=O)CN)C1CC1 ZINC000079407075 384137434 /nfs/dbraw/zinc/13/74/34/384137434.db2.gz VPPVCXMYHRHOGJ-NEPJUHHUSA-N 1 3 239.363 0.809 40 0 BCABHO C[N@H+](C[C@@H]1CCCCN1C(=O)CN)C1CC1 ZINC000079424919 384146953 /nfs/dbraw/zinc/14/69/53/384146953.db2.gz BZYHZYCWHAIBFT-NSHDSACASA-N 1 3 225.336 0.420 40 0 BCABHO C[N@@H+](C[C@@H]1CCCCN1C(=O)CN)C1CC1 ZINC000079424919 384146954 /nfs/dbraw/zinc/14/69/54/384146954.db2.gz BZYHZYCWHAIBFT-NSHDSACASA-N 1 3 225.336 0.420 40 0 BCABHO C[N@H+](C1CC1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079424911 384147100 /nfs/dbraw/zinc/14/71/00/384147100.db2.gz ZPWYMGSPVKIPII-SNVBAGLBSA-N 1 3 211.309 0.030 40 0 BCABHO C[N@@H+](C1CC1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079424911 384147101 /nfs/dbraw/zinc/14/71/01/384147101.db2.gz ZPWYMGSPVKIPII-SNVBAGLBSA-N 1 3 211.309 0.030 40 0 BCABHO CC(C)[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079419433 384141607 /nfs/dbraw/zinc/14/16/07/384141607.db2.gz LKGRNPNOGXRISI-WDEREUQCSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079419433 384141613 /nfs/dbraw/zinc/14/16/13/384141613.db2.gz LKGRNPNOGXRISI-WDEREUQCSA-N 1 3 227.352 0.665 40 0 BCABHO CC[NH+](CC)CCN1CCC[C@H](N)C1=O ZINC000070061951 384220160 /nfs/dbraw/zinc/22/01/60/384220160.db2.gz DPUNOWWDWPEXAS-JTQLQIEISA-N 1 3 213.325 0.278 40 0 BCABHO C[C@@H]([NH3+])CN1CCN(C2CCN(C)CC2)CC1 ZINC000096523919 385272752 /nfs/dbraw/zinc/27/27/52/385272752.db2.gz QUBCEUKYJHEVMY-GFCCVEGCSA-N 1 3 240.395 0.045 40 0 BCABHO C(C1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078570864 388615538 /nfs/dbraw/zinc/61/55/38/388615538.db2.gz SLASAZMRKWCCLM-TXEJJXNPSA-N 1 3 210.321 0.564 40 0 BCABHO CN(C)CCN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225712223 388840343 /nfs/dbraw/zinc/84/03/43/388840343.db2.gz IHZPMEFRGBJJMK-NEPJUHHUSA-N 1 3 211.353 0.764 40 0 BCABHO CN1CCC([N@@H+]2CCN[C@H]3CCC[C@H]32)CC1 ZINC000218847055 411177780 /nfs/dbraw/zinc/17/77/80/411177780.db2.gz XANNMPQJDUHBRQ-QWHCGFSZSA-N 1 3 223.364 0.907 40 0 BCABHO CN1CCC([N@H+]2CCN[C@H]3CCC[C@H]32)CC1 ZINC000218847055 411177783 /nfs/dbraw/zinc/17/77/83/411177783.db2.gz XANNMPQJDUHBRQ-QWHCGFSZSA-N 1 3 223.364 0.907 40 0 BCABHO CN1CCC(c2nc(CCC[NH3+])no2)CC1 ZINC000218376985 173000970 /nfs/dbraw/zinc/00/09/70/173000970.db2.gz YVMKOZOPAANDBS-UHFFFAOYSA-N 1 3 224.308 0.770 40 0 BCABHO CN1CCN(CC2CCC(C[NH3+])CC2)CC1 ZINC000086478678 173080059 /nfs/dbraw/zinc/08/00/59/173080059.db2.gz VZWJFNABCFQRQR-UHFFFAOYSA-N 1 3 225.380 0.999 40 0 BCABHO CN1CC[C@@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828871 173128061 /nfs/dbraw/zinc/12/80/61/173128061.db2.gz GUFDQPOXHREQJA-MRVPVSSYSA-N 1 3 210.281 0.380 40 0 BCABHO COCCCN1CCOC2(CC[NH2+]CC2)C1 ZINC000096531583 174231671 /nfs/dbraw/zinc/23/16/71/174231671.db2.gz BRNKOSJGSVPGAK-UHFFFAOYSA-N 1 3 228.336 0.477 40 0 BCABHO COCCN(C[C@H](C)[NH3+])C1CCN(C)CC1 ZINC000096523896 174298326 /nfs/dbraw/zinc/29/83/26/174298326.db2.gz NOUPRVXBBGHCPI-NSHDSACASA-N 1 3 229.368 0.376 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@@H](C[NH+](C)C)C1 ZINC000079419412 176747549 /nfs/dbraw/zinc/74/75/49/176747549.db2.gz QYVHMIUWKJAMOC-UWVGGRQHSA-N 1 3 213.325 0.134 40 0 BCABHO CNc1cc(N2CCC([NH3+])CC2)nc(C)n1 ZINC000259026528 342824385 /nfs/dbraw/zinc/82/43/85/342824385.db2.gz SNWPRVQEWHYLSO-UHFFFAOYSA-N 1 3 221.308 0.754 40 0 BCABHO CN1CC[C@H](O)[C@H](C[C@H]2CCCC[NH2+]2)C1 ZINC000242522416 259326017 /nfs/dbraw/zinc/32/60/17/259326017.db2.gz ISBDAGONLADELG-UTUOFQBUSA-N 1 3 212.337 0.831 40 0 BCABHO CC(C)C[N@@H+]1CCOC[C@@H]2CNCC[C@H]21 ZINC000409423235 343814702 /nfs/dbraw/zinc/81/47/02/343814702.db2.gz MTKMILKXAJGUJB-NWDGAFQWSA-N 1 3 212.337 0.953 40 0 BCABHO CC(C)C[N@H+]1CCOC[C@@H]2CNCC[C@H]21 ZINC000409423235 343814704 /nfs/dbraw/zinc/81/47/04/343814704.db2.gz MTKMILKXAJGUJB-NWDGAFQWSA-N 1 3 212.337 0.953 40 0 BCABHO CC(C)CN1CCOC[C@@H]2C[NH2+]CC[C@H]21 ZINC000409423235 343814705 /nfs/dbraw/zinc/81/47/05/343814705.db2.gz MTKMILKXAJGUJB-NWDGAFQWSA-N 1 3 212.337 0.953 40 0 BCABHO [NH3+]CCCN1CC[C@@H](O)[C@@H](CCF)C1 ZINC000409425346 343819387 /nfs/dbraw/zinc/81/93/87/343819387.db2.gz AJCNNHQRYNFYAL-VHSXEESVSA-N 1 3 204.289 0.378 40 0 BCABHO COC[C@H]1C[N@H+](CCCN)CC1(C)C ZINC000409425630 343819874 /nfs/dbraw/zinc/81/98/74/343819874.db2.gz BACLRCQJCYPHEV-SNVBAGLBSA-N 1 3 200.326 0.940 40 0 BCABHO COC[C@H]1C[N@@H+](CCCN)CC1(C)C ZINC000409425630 343819876 /nfs/dbraw/zinc/81/98/76/343819876.db2.gz BACLRCQJCYPHEV-SNVBAGLBSA-N 1 3 200.326 0.940 40 0 BCABHO COC[C@H]1CN(CCC[NH3+])CC1(C)C ZINC000409425630 343819878 /nfs/dbraw/zinc/81/98/78/343819878.db2.gz BACLRCQJCYPHEV-SNVBAGLBSA-N 1 3 200.326 0.940 40 0 BCABHO COC[C@@H]1C[N@@H+](C2CCNCC2)C[C@H]1C ZINC000409425694 343820161 /nfs/dbraw/zinc/82/01/61/343820161.db2.gz GNGIHPOXQZXAHM-MNOVXSKESA-N 1 3 212.337 0.953 40 0 BCABHO COC[C@@H]1C[N@H+](C2CCNCC2)C[C@H]1C ZINC000409425694 343820163 /nfs/dbraw/zinc/82/01/63/343820163.db2.gz GNGIHPOXQZXAHM-MNOVXSKESA-N 1 3 212.337 0.953 40 0 BCABHO CCOC[C@H]1C[N@H+](CCCN)C[C@H]1C ZINC000409432633 343826906 /nfs/dbraw/zinc/82/69/06/343826906.db2.gz LMFCFPZOLHQXRO-GHMZBOCLSA-N 1 3 200.326 0.940 40 0 BCABHO CCOC[C@H]1C[N@@H+](CCCN)C[C@H]1C ZINC000409432633 343826907 /nfs/dbraw/zinc/82/69/07/343826907.db2.gz LMFCFPZOLHQXRO-GHMZBOCLSA-N 1 3 200.326 0.940 40 0 BCABHO OCCC1CC[NH+](C2CCNCC2)CC1 ZINC000401053643 343811735 /nfs/dbraw/zinc/81/17/35/343811735.db2.gz ZISODINBIQROQQ-UHFFFAOYSA-N 1 3 212.337 0.833 40 0 BCABHO OCCC1CCN(C2CC[NH2+]CC2)CC1 ZINC000401053643 343811738 /nfs/dbraw/zinc/81/17/38/343811738.db2.gz ZISODINBIQROQQ-UHFFFAOYSA-N 1 3 212.337 0.833 40 0 BCABHO O[C@@H]1CC[N@@H+](C2CCNCC2)C[C@@H]1CCF ZINC000409435025 343835575 /nfs/dbraw/zinc/83/55/75/343835575.db2.gz SBEGEVHQWRQTOD-CMPLNLGQSA-N 1 3 230.327 0.781 40 0 BCABHO O[C@@H]1CC[N@H+](C2CCNCC2)C[C@@H]1CCF ZINC000409435025 343835576 /nfs/dbraw/zinc/83/55/76/343835576.db2.gz SBEGEVHQWRQTOD-CMPLNLGQSA-N 1 3 230.327 0.781 40 0 BCABHO C[N@@H+]1CCC[C@H](Cn2cc(CN)nn2)C1 ZINC000409424268 350475693 /nfs/dbraw/zinc/47/56/93/350475693.db2.gz GKQIUIYOFHAUOP-VIFPVBQESA-N 1 3 209.297 0.079 40 0 BCABHO C[N@H+]1CCC[C@H](Cn2cc(CN)nn2)C1 ZINC000409424268 350475695 /nfs/dbraw/zinc/47/56/95/350475695.db2.gz GKQIUIYOFHAUOP-VIFPVBQESA-N 1 3 209.297 0.079 40 0 BCABHO CC(=O)N1CCC(N2CCC([NH3+])CC2)CC1 ZINC000300763735 352573832 /nfs/dbraw/zinc/57/38/32/352573832.db2.gz OMDKHPBZEVIBMT-UHFFFAOYSA-N 1 3 225.336 0.420 40 0 BCABHO CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000079419421 188292300 /nfs/dbraw/zinc/29/23/00/188292300.db2.gz IPDRZGHDKJWWRK-QWRGUYRKSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000079419421 188292303 /nfs/dbraw/zinc/29/23/03/188292303.db2.gz IPDRZGHDKJWWRK-QWRGUYRKSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000079419551 188292408 /nfs/dbraw/zinc/29/24/08/188292408.db2.gz BWGSVXNXQYHDKX-MNOVXSKESA-N 1 3 227.352 0.522 40 0 BCABHO C(C1CC1)N1CCOC2(CC[NH2+]CC2)C1 ZINC000096531553 188321569 /nfs/dbraw/zinc/32/15/69/188321569.db2.gz RAGLPHWEVRGDQF-UHFFFAOYSA-N 1 3 210.321 0.851 40 0 BCABHO CCN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H](C)N ZINC000079407199 384135724 /nfs/dbraw/zinc/13/57/24/384135724.db2.gz VTDUWTNWSKWRBA-VHSXEESVSA-N 1 3 213.325 0.276 40 0 BCABHO CCN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H](C)N ZINC000079407199 384135728 /nfs/dbraw/zinc/13/57/28/384135728.db2.gz VTDUWTNWSKWRBA-VHSXEESVSA-N 1 3 213.325 0.276 40 0 BCABHO C[C@H](N)C(=O)N(C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000079407382 384136087 /nfs/dbraw/zinc/13/60/87/384136087.db2.gz YEZVOOKYYZSSNO-UWVGGRQHSA-N 1 3 225.336 0.276 40 0 BCABHO C[C@H](N)C(=O)N(C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000079407382 384136091 /nfs/dbraw/zinc/13/60/91/384136091.db2.gz YEZVOOKYYZSSNO-UWVGGRQHSA-N 1 3 225.336 0.276 40 0 BCABHO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H](N)C(C)C ZINC000079407579 384137152 /nfs/dbraw/zinc/13/71/52/384137152.db2.gz XHGUFNKTRQMTAX-RYUDHWBXSA-N 1 3 241.379 0.770 40 0 BCABHO CCN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H](N)C(C)C ZINC000079407579 384137162 /nfs/dbraw/zinc/13/71/62/384137162.db2.gz XHGUFNKTRQMTAX-RYUDHWBXSA-N 1 3 241.379 0.770 40 0 BCABHO CCN(CCO)C[C@@H]1CCC[N@H+](C)C1 ZINC000079405969 384137737 /nfs/dbraw/zinc/13/77/37/384137737.db2.gz SMIDHRVTQIJRDY-LLVKDONJSA-N 1 3 200.326 0.642 40 0 BCABHO CCN(CCO)C[C@@H]1CCC[N@@H+](C)C1 ZINC000079405969 384137743 /nfs/dbraw/zinc/13/77/43/384137743.db2.gz SMIDHRVTQIJRDY-LLVKDONJSA-N 1 3 200.326 0.642 40 0 BCABHO CCN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CN ZINC000079406902 384138169 /nfs/dbraw/zinc/13/81/69/384138169.db2.gz LCPUODCYPCBBBH-SNVBAGLBSA-N 1 3 213.325 0.135 40 0 BCABHO CCN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CN ZINC000079406902 384138171 /nfs/dbraw/zinc/13/81/71/384138171.db2.gz LCPUODCYPCBBBH-SNVBAGLBSA-N 1 3 213.325 0.135 40 0 BCABHO C[N@H+](C1CC1)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079419379 384141797 /nfs/dbraw/zinc/14/17/97/384141797.db2.gz SUSXUPCMBSPIBV-QWRGUYRKSA-N 1 3 225.336 0.467 40 0 BCABHO C[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079419379 384141803 /nfs/dbraw/zinc/14/18/03/384141803.db2.gz SUSXUPCMBSPIBV-QWRGUYRKSA-N 1 3 225.336 0.467 40 0 BCABHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@H+](C)C1CC1 ZINC000079419533 384143619 /nfs/dbraw/zinc/14/36/19/384143619.db2.gz ODYVHPRLYYAJPJ-MVWJERBFSA-N 1 3 239.363 0.855 40 0 BCABHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC1 ZINC000079419533 384143625 /nfs/dbraw/zinc/14/36/25/384143625.db2.gz ODYVHPRLYYAJPJ-MVWJERBFSA-N 1 3 239.363 0.855 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC000079419565 384143693 /nfs/dbraw/zinc/14/36/93/384143693.db2.gz YPXCUZPYUJMYDU-RYUDHWBXSA-N 1 3 241.379 0.911 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC000079419565 384143701 /nfs/dbraw/zinc/14/37/01/384143701.db2.gz YPXCUZPYUJMYDU-RYUDHWBXSA-N 1 3 241.379 0.911 40 0 BCABHO CCN(C(=O)CN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178240 384282566 /nfs/dbraw/zinc/28/25/66/384282566.db2.gz IMEIFURLLCULBI-PHIMTYICSA-N 1 3 227.352 0.666 40 0 BCABHO c1cncc(CN2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000096249678 384446033 /nfs/dbraw/zinc/44/60/33/384446033.db2.gz HLTHHXFZRNWOMW-ZIAGYGMSSA-N 1 3 247.342 0.892 40 0 BCABHO C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000079419399 384496091 /nfs/dbraw/zinc/49/60/91/384496091.db2.gz LJBQNZXSPGCRRL-VHSXEESVSA-N 1 3 213.325 0.276 40 0 BCABHO CN(C)CCN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218830219 386052722 /nfs/dbraw/zinc/05/27/22/386052722.db2.gz IHZPMEFRGBJJMK-VXGBXAGGSA-N 1 3 211.353 0.764 40 0 BCABHO N[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000218853026 388392956 /nfs/dbraw/zinc/39/29/56/388392956.db2.gz DNQYXFJIJSDDGA-STQMWFEESA-N 1 3 241.379 0.568 40 0 BCABHO [NH3+][C@H]1CCCC[C@@H]1NCCCN1CCOCC1 ZINC000218853026 388392958 /nfs/dbraw/zinc/39/29/58/388392958.db2.gz DNQYXFJIJSDDGA-STQMWFEESA-N 1 3 241.379 0.568 40 0 BCABHO COC(=O)[C@H]1CC[N@@H+](C2CCNCC2)C1 ZINC000113917387 388653690 /nfs/dbraw/zinc/65/36/90/388653690.db2.gz IQBYFGCUYUSBFV-VIFPVBQESA-N 1 3 212.293 0.233 40 0 BCABHO COC(=O)[C@H]1CC[N@H+](C2CCNCC2)C1 ZINC000113917387 388653691 /nfs/dbraw/zinc/65/36/91/388653691.db2.gz IQBYFGCUYUSBFV-VIFPVBQESA-N 1 3 212.293 0.233 40 0 BCABHO CN(C)C(=O)C1CC[NH+](C2CCNCC2)CC1 ZINC000096260815 172354506 /nfs/dbraw/zinc/35/45/06/172354506.db2.gz HQTIECSMXUOTAX-UHFFFAOYSA-N 1 3 239.363 0.539 40 0 BCABHO C[C@@H](N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000037826926 175794806 /nfs/dbraw/zinc/79/48/06/175794806.db2.gz TWMCOKRFHBBPQX-LLVKDONJSA-N 1 3 239.363 0.811 40 0 BCABHO C[C@@H]1C[C@H]([NH2+]CCN(C)C)[C@@H](C)CN1C ZINC000102759960 177238502 /nfs/dbraw/zinc/23/85/02/177238502.db2.gz KXVDQAXQVMYJPY-TUAOUCFPSA-N 1 3 213.369 0.866 40 0 BCABHO C[C@@H]1C[C@H](NCCN(C)C)[C@@H](C)C[N@@H+]1C ZINC000102759960 177238504 /nfs/dbraw/zinc/23/85/04/177238504.db2.gz KXVDQAXQVMYJPY-TUAOUCFPSA-N 1 3 213.369 0.866 40 0 BCABHO C[C@@H]1C[C@H](NCCN(C)C)[C@@H](C)C[N@H+]1C ZINC000102759960 177238506 /nfs/dbraw/zinc/23/85/06/177238506.db2.gz KXVDQAXQVMYJPY-TUAOUCFPSA-N 1 3 213.369 0.866 40 0 BCABHO COC(=O)C[C@@H](C)NCCC[NH+](C)C ZINC000035748433 343303407 /nfs/dbraw/zinc/30/34/07/343303407.db2.gz VVGXXOWZXNYRRA-SECBINFHSA-N 1 3 202.298 0.479 40 0 BCABHO CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCN(C)C1 ZINC000079407709 187262968 /nfs/dbraw/zinc/26/29/68/187262968.db2.gz RXWBCVMMDVDYHM-NEPJUHHUSA-N 1 3 239.363 0.665 40 0 BCABHO CC(C)[N@H+](C)C1CCC(NC(=O)CN)CC1 ZINC000079419338 187263111 /nfs/dbraw/zinc/26/31/11/187263111.db2.gz QURGNXSTQKULGJ-UHFFFAOYSA-N 1 3 227.352 0.713 40 0 BCABHO CC(C)[N@@H+](C)C1CCC(NC(=O)CN)CC1 ZINC000079419338 187263112 /nfs/dbraw/zinc/26/31/12/187263112.db2.gz QURGNXSTQKULGJ-UHFFFAOYSA-N 1 3 227.352 0.713 40 0 BCABHO CC(C)[N@H+](CCN)C[C@H]1CCCN(C)C1 ZINC000079406306 187263233 /nfs/dbraw/zinc/26/32/33/187263233.db2.gz BJHZSMSLDOULJM-LBPRGKRZSA-N 1 3 213.369 0.997 40 0 BCABHO CC(C)[N@@H+](CCN)C[C@H]1CCCN(C)C1 ZINC000079406306 187263235 /nfs/dbraw/zinc/26/32/35/187263235.db2.gz BJHZSMSLDOULJM-LBPRGKRZSA-N 1 3 213.369 0.997 40 0 BCABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407467 187263298 /nfs/dbraw/zinc/26/32/98/187263298.db2.gz LHBMQESMKHTOFZ-WOPDTQHZSA-N 1 3 241.379 0.959 40 0 BCABHO CC(=O)N1CCC(N2CCC[C@H](C[NH3+])C2)CC1 ZINC000310060004 343790632 /nfs/dbraw/zinc/79/06/32/343790632.db2.gz KPCAPGSRZVXTQD-GFCCVEGCSA-N 1 3 239.363 0.668 40 0 BCABHO CC(=O)N1CCC([N@@H+]2CCC[C@H](CN)C2)CC1 ZINC000310060004 343790633 /nfs/dbraw/zinc/79/06/33/343790633.db2.gz KPCAPGSRZVXTQD-GFCCVEGCSA-N 1 3 239.363 0.668 40 0 BCABHO CC(=O)N1CCC([N@H+]2CCC[C@H](CN)C2)CC1 ZINC000310060004 343790636 /nfs/dbraw/zinc/79/06/36/343790636.db2.gz KPCAPGSRZVXTQD-GFCCVEGCSA-N 1 3 239.363 0.668 40 0 BCABHO CO[C@@H]1CCO[C@@]2(CCCN(CCC[NH3+])C2)C1 ZINC000409426974 343799742 /nfs/dbraw/zinc/79/97/42/343799742.db2.gz DKWDUVJHNCYZOB-OLZOCXBDSA-N 1 3 242.363 0.995 40 0 BCABHO [NH3+]CCCN1CC[C@H](O)[C@@H](CCF)C1 ZINC000409425344 343819328 /nfs/dbraw/zinc/81/93/28/343819328.db2.gz AJCNNHQRYNFYAL-UWVGGRQHSA-N 1 3 204.289 0.378 40 0 BCABHO NC(=[NH2+])N1CCN(c2ccncc2)CC1 ZINC000409432084 343825301 /nfs/dbraw/zinc/82/53/01/343825301.db2.gz KVEWEPPUFZNZFG-UHFFFAOYSA-N 1 3 205.265 0.097 40 0 BCABHO CC1(CO)CCN(C2CC[NH2+]CC2)CC1 ZINC000402896451 343811408 /nfs/dbraw/zinc/81/14/08/343811408.db2.gz FAYYPRNDLOPZEO-UHFFFAOYSA-N 1 3 212.337 0.833 40 0 BCABHO CC1(CO)CC[NH+](C2CCNCC2)CC1 ZINC000402896451 343811409 /nfs/dbraw/zinc/81/14/09/343811409.db2.gz FAYYPRNDLOPZEO-UHFFFAOYSA-N 1 3 212.337 0.833 40 0 BCABHO NCCC[N@@H+]1C[C@@H](CO)C2(CCCC2)C1 ZINC000409434646 343834506 /nfs/dbraw/zinc/83/45/06/343834506.db2.gz PYONUMUNYDRNDE-NSHDSACASA-N 1 3 212.337 0.820 40 0 BCABHO NCCC[N@H+]1C[C@@H](CO)C2(CCCC2)C1 ZINC000409434646 343834507 /nfs/dbraw/zinc/83/45/07/343834507.db2.gz PYONUMUNYDRNDE-NSHDSACASA-N 1 3 212.337 0.820 40 0 BCABHO O[C@@H]1CC[N@@H+](C2CCNCC2)C[C@H]1CCF ZINC000409435028 343835765 /nfs/dbraw/zinc/83/57/65/343835765.db2.gz SBEGEVHQWRQTOD-ZYHUDNBSSA-N 1 3 230.327 0.781 40 0 BCABHO O[C@@H]1CC[N@H+](C2CCNCC2)C[C@H]1CCF ZINC000409435028 343835767 /nfs/dbraw/zinc/83/57/67/343835767.db2.gz SBEGEVHQWRQTOD-ZYHUDNBSSA-N 1 3 230.327 0.781 40 0 BCABHO CO[C@@H]1CCO[C@@]2(CCN(CCC[NH3+])C2)C1 ZINC000409435768 343840144 /nfs/dbraw/zinc/84/01/44/343840144.db2.gz WMCFOWCZFCLEQX-NEPJUHHUSA-N 1 3 228.336 0.605 40 0 BCABHO C[C@H](N)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101725 348053867 /nfs/dbraw/zinc/05/38/67/348053867.db2.gz TYJQETGDPOFZFJ-JTQLQIEISA-N 1 3 225.336 0.420 40 0 BCABHO CC(C)[C@H](N)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000079407464 188291942 /nfs/dbraw/zinc/29/19/42/188291942.db2.gz RJCXBOCPEFGANO-MCIGGMRASA-N 1 3 241.379 0.959 40 0 BCABHO [NH3+]CC1CCN(CC(=O)N2CCCCC2)CC1 ZINC000019843224 181365710 /nfs/dbraw/zinc/36/57/10/181365710.db2.gz JHCRVNDMNONLMP-UHFFFAOYSA-N 1 3 239.363 0.670 40 0 BCABHO CC[C@@H](C)[C@@H]([NH3+])CN1CCCN(C)CC1 ZINC000020217792 368977183 /nfs/dbraw/zinc/97/71/83/368977183.db2.gz OIOOWQXSOJKXCN-NEPJUHHUSA-N 1 3 213.369 0.997 40 0 BCABHO C[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000079407376 384135697 /nfs/dbraw/zinc/13/56/97/384135697.db2.gz LTMWWOFMNUWZPW-GXSJLCMTSA-N 1 3 225.336 0.419 40 0 BCABHO C[C@H](N)C(=O)N(C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000079407376 384135701 /nfs/dbraw/zinc/13/57/01/384135701.db2.gz LTMWWOFMNUWZPW-GXSJLCMTSA-N 1 3 225.336 0.419 40 0 BCABHO C[C@H](N)C(=O)N(C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000079407417 384135710 /nfs/dbraw/zinc/13/57/10/384135710.db2.gz ZREKNIHHRZIIQW-QWRGUYRKSA-N 1 3 239.363 0.666 40 0 BCABHO C[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000079407417 384135713 /nfs/dbraw/zinc/13/57/13/384135713.db2.gz ZREKNIHHRZIIQW-QWRGUYRKSA-N 1 3 239.363 0.666 40 0 BCABHO C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCCN(C)C1 ZINC000079407387 384136278 /nfs/dbraw/zinc/13/62/78/384136278.db2.gz HNGGYBXVWVGZEZ-GXSJLCMTSA-N 1 3 225.336 0.419 40 0 BCABHO C[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000079407152 384136688 /nfs/dbraw/zinc/13/66/88/384136688.db2.gz KCGIYIVTOJXTEM-UWVGGRQHSA-N 1 3 213.325 0.134 40 0 BCABHO C[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000079407152 384136693 /nfs/dbraw/zinc/13/66/93/384136693.db2.gz KCGIYIVTOJXTEM-UWVGGRQHSA-N 1 3 213.325 0.134 40 0 BCABHO CCN(C(=O)CN)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079406925 384137528 /nfs/dbraw/zinc/13/75/28/384137528.db2.gz QXGGMYDCPOVOOW-MNOVXSKESA-N 1 3 227.352 0.666 40 0 BCABHO C[N@H+](C1CC1)C1CCC(NC(=O)CN)CC1 ZINC000079430295 384146649 /nfs/dbraw/zinc/14/66/49/384146649.db2.gz MBGOCQJKVLQHJV-UHFFFAOYSA-N 1 3 225.336 0.467 40 0 BCABHO C[N@@H+](C1CC1)C1CCC(NC(=O)CN)CC1 ZINC000079430295 384146651 /nfs/dbraw/zinc/14/66/51/384146651.db2.gz MBGOCQJKVLQHJV-UHFFFAOYSA-N 1 3 225.336 0.467 40 0 BCABHO CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)CN ZINC000079419328 384143870 /nfs/dbraw/zinc/14/38/70/384143870.db2.gz YPFKVPFHGAPQJY-LLVKDONJSA-N 1 3 227.352 0.666 40 0 BCABHO CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CN ZINC000079419328 384143873 /nfs/dbraw/zinc/14/38/73/384143873.db2.gz YPFKVPFHGAPQJY-LLVKDONJSA-N 1 3 227.352 0.666 40 0 BCABHO CN(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000074920902 384310479 /nfs/dbraw/zinc/31/04/79/384310479.db2.gz RHFDPDQEPFLBCW-UHFFFAOYSA-N 1 3 227.352 0.396 40 0 BCABHO C[N@H+](C1CC1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100178282 384282809 /nfs/dbraw/zinc/28/28/09/384282809.db2.gz MBGOCQJKVLQHJV-AOOOYVTPSA-N 1 3 225.336 0.467 40 0 BCABHO C[N@@H+](C1CC1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100178282 384282815 /nfs/dbraw/zinc/28/28/15/384282815.db2.gz MBGOCQJKVLQHJV-AOOOYVTPSA-N 1 3 225.336 0.467 40 0 BCABHO CN(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000074707300 384299627 /nfs/dbraw/zinc/29/96/27/384299627.db2.gz UGPUYQMOXOBRBY-UHFFFAOYSA-N 1 3 213.325 0.006 40 0 BCABHO C[C@@H]([NH3+])c1ccc(N2CCNCC2)nc1 ZINC000072225513 385110973 /nfs/dbraw/zinc/11/09/73/385110973.db2.gz AZXFGIPRBMDMME-SECBINFHSA-N 1 3 206.293 0.511 40 0 BCABHO NC[C@@H]1CCCC[N@@H+]1CCCN1CCOCC1 ZINC000096523586 385268275 /nfs/dbraw/zinc/26/82/75/385268275.db2.gz ZJOXBCFRRUIQKQ-ZDUSSCGKSA-N 1 3 241.379 0.522 40 0 BCABHO NC[C@@H]1CCCC[N@H+]1CCCN1CCOCC1 ZINC000096523586 385268280 /nfs/dbraw/zinc/26/82/80/385268280.db2.gz ZJOXBCFRRUIQKQ-ZDUSSCGKSA-N 1 3 241.379 0.522 40 0 BCABHO CCS(=O)(=O)[C@]1(CN)C[C@H](C[NH3+])C[C@@H]1C ZINC000096532544 385284591 /nfs/dbraw/zinc/28/45/91/385284591.db2.gz BPSSMVVYPCRBDD-AEJSXWLSSA-N 1 3 234.365 0.123 40 0 BCABHO [NH3+]CCCN1CCN([C@H]2CCSC2)CC1 ZINC000409428979 385328416 /nfs/dbraw/zinc/32/84/16/385328416.db2.gz NKSUBCUVAPVPOM-NSHDSACASA-N 1 3 229.393 0.458 40 0 BCABHO CN(C)CCn1c(=O)ccc2c1CC[NH2+]CC2 ZINC000306130593 385993068 /nfs/dbraw/zinc/99/30/68/385993068.db2.gz JKOFNTOFQCUHEI-UHFFFAOYSA-N 1 3 235.331 0.098 40 0 BCABHO [NH3+][C@@H]1CCC[C@@H]1NCCCN1CCOCC1 ZINC000218870288 386352184 /nfs/dbraw/zinc/35/21/84/386352184.db2.gz CIMOVVGNJOIJEJ-NEPJUHHUSA-N 1 3 227.352 0.178 40 0 BCABHO N[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000218870288 386352189 /nfs/dbraw/zinc/35/21/89/386352189.db2.gz CIMOVVGNJOIJEJ-NEPJUHHUSA-N 1 3 227.352 0.178 40 0 BCABHO [NH3+][C@H]1CCC[C@H]1NCCCN1CCOCC1 ZINC000218870449 386353336 /nfs/dbraw/zinc/35/33/36/386353336.db2.gz CIMOVVGNJOIJEJ-NWDGAFQWSA-N 1 3 227.352 0.178 40 0 BCABHO N[C@H]1CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000218870449 386353341 /nfs/dbraw/zinc/35/33/41/386353341.db2.gz CIMOVVGNJOIJEJ-NWDGAFQWSA-N 1 3 227.352 0.178 40 0 BCABHO N[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000218853113 388393115 /nfs/dbraw/zinc/39/31/15/388393115.db2.gz DNQYXFJIJSDDGA-CHWSQXEVSA-N 1 3 241.379 0.568 40 0 BCABHO [NH3+][C@@H]1CCCC[C@H]1NCCCN1CCOCC1 ZINC000218853113 388393117 /nfs/dbraw/zinc/39/31/17/388393117.db2.gz DNQYXFJIJSDDGA-CHWSQXEVSA-N 1 3 241.379 0.568 40 0 BCABHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H]1CO ZINC000252486513 135093102 /nfs/dbraw/zinc/09/31/02/135093102.db2.gz KMGUHEOVXWBQHK-QWRGUYRKSA-N 1 3 200.326 0.817 40 0 BCABHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H]1CO ZINC000252486513 135093105 /nfs/dbraw/zinc/09/31/05/135093105.db2.gz KMGUHEOVXWBQHK-QWRGUYRKSA-N 1 3 200.326 0.817 40 0 BCABHO CN1CCC[C@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828885 173048857 /nfs/dbraw/zinc/04/88/57/173048857.db2.gz RCFIMXTVQPKQJE-VIFPVBQESA-N 1 3 224.308 0.770 40 0 BCABHO Cn1ccnc1N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306126902 491118403 /nfs/dbraw/zinc/11/84/03/491118403.db2.gz FIKNSLVFMNFIIH-SNVBAGLBSA-N 1 3 236.319 0.743 40 0 BCABHO CN1CC[C@H](O)[C@H](C[C@@H]2CCC[NH2+]C2)C1 ZINC000242463487 398314142 /nfs/dbraw/zinc/31/41/42/398314142.db2.gz DCXKJKJIJXJQFF-TUAOUCFPSA-N 1 3 212.337 0.689 40 0 BCABHO C1CC(N2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC000328366764 343796640 /nfs/dbraw/zinc/79/66/40/343796640.db2.gz COYHAHFFKITNJF-UHFFFAOYSA-N 1 3 223.364 0.909 40 0 BCABHO CCOC[C@@H]1C[N@H+](CCCN)C[C@H]1C ZINC000409432634 343827240 /nfs/dbraw/zinc/82/72/40/343827240.db2.gz LMFCFPZOLHQXRO-MNOVXSKESA-N 1 3 200.326 0.940 40 0 BCABHO CCOC[C@@H]1C[N@@H+](CCCN)C[C@H]1C ZINC000409432634 343827241 /nfs/dbraw/zinc/82/72/41/343827241.db2.gz LMFCFPZOLHQXRO-MNOVXSKESA-N 1 3 200.326 0.940 40 0 BCABHO [NH3+]CCCN1CCN(C2CCSCC2)CC1 ZINC000409429038 343804598 /nfs/dbraw/zinc/80/45/98/343804598.db2.gz NOZLKRHARRPYIF-UHFFFAOYSA-N 1 3 243.420 0.848 40 0 BCABHO Cc1nc(N)cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC000409429900 343806689 /nfs/dbraw/zinc/80/66/89/343806689.db2.gz JYXGZDZNEUMPTJ-NXEZZACHSA-N 1 3 233.319 0.365 40 0 BCABHO OC[C@@]12CCC[C@@H]1C[N@@H+](C1CCNCC1)C2 ZINC000409430043 343807170 /nfs/dbraw/zinc/80/71/70/343807170.db2.gz IDZGLLKNRKPLNX-YPMHNXCESA-N 1 3 224.348 0.833 40 0 BCABHO OC[C@@]12CCC[C@@H]1C[N@H+](C1CCNCC1)C2 ZINC000409430043 343807173 /nfs/dbraw/zinc/80/71/73/343807173.db2.gz IDZGLLKNRKPLNX-YPMHNXCESA-N 1 3 224.348 0.833 40 0 BCABHO C[C@@H](O)[C@H]1CCCC[N@@H+]1C1CCNCC1 ZINC000409430563 343808532 /nfs/dbraw/zinc/80/85/32/343808532.db2.gz QRNKRPGQSFSCAZ-ZYHUDNBSSA-N 1 3 212.337 0.974 40 0 BCABHO C[C@@H](O)[C@H]1CCCC[N@H+]1C1CCNCC1 ZINC000409430563 343808535 /nfs/dbraw/zinc/80/85/35/343808535.db2.gz QRNKRPGQSFSCAZ-ZYHUDNBSSA-N 1 3 212.337 0.974 40 0 BCABHO C[C@@H](O)[C@H]1CCCCN1C1CC[NH2+]CC1 ZINC000409430563 343808537 /nfs/dbraw/zinc/80/85/37/343808537.db2.gz QRNKRPGQSFSCAZ-ZYHUDNBSSA-N 1 3 212.337 0.974 40 0 BCABHO [NH2+]=C(CN1CCN(C2CCC2)CC1)NO ZINC000382321582 343809615 /nfs/dbraw/zinc/80/96/15/343809615.db2.gz TZFOJBJSDUMIBE-UHFFFAOYSA-N 1 3 212.297 0.113 40 0 BCABHO O[C@H]1CC[N@@H+](C2CCNCC2)C[C@@H]1CCF ZINC000409435026 343835745 /nfs/dbraw/zinc/83/57/45/343835745.db2.gz SBEGEVHQWRQTOD-JQWIXIFHSA-N 1 3 230.327 0.781 40 0 BCABHO O[C@H]1CC[N@H+](C2CCNCC2)C[C@@H]1CCF ZINC000409435026 343835747 /nfs/dbraw/zinc/83/57/47/343835747.db2.gz SBEGEVHQWRQTOD-JQWIXIFHSA-N 1 3 230.327 0.781 40 0 BCABHO Cc1nc(N)cc(NC2CC[NH+](C)CC2)n1 ZINC000087810404 345941855 /nfs/dbraw/zinc/94/18/55/345941855.db2.gz LUALHQJYQQRKTA-UHFFFAOYSA-N 1 3 221.308 0.873 40 0 BCABHO Cc1nc(N)cc(NCCC[NH+](C)C)n1 ZINC000087808292 345941945 /nfs/dbraw/zinc/94/19/45/345941945.db2.gz RAPPUNVBTBOGOP-UHFFFAOYSA-N 1 3 209.297 0.731 40 0 BCABHO CO[C@@H]1CCO[C@]2(CCN(CCC[NH3+])C2)C1 ZINC000409435771 350478912 /nfs/dbraw/zinc/47/89/12/350478912.db2.gz WMCFOWCZFCLEQX-VXGBXAGGSA-N 1 3 228.336 0.605 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972024 188014422 /nfs/dbraw/zinc/01/44/22/188014422.db2.gz MPULQAZKGXFYJC-ZJUUUORDSA-N 1 3 213.325 0.132 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972023 188014565 /nfs/dbraw/zinc/01/45/65/188014565.db2.gz MPULQAZKGXFYJC-UWVGGRQHSA-N 1 3 213.325 0.132 40 0 BCABHO N=C(N)Nc1nc(CSC(N)=[NH2+])cs1 ZINC000002241666 181191052 /nfs/dbraw/zinc/19/10/52/181191052.db2.gz QUBHCMPAOWIZMT-UHFFFAOYSA-N 1 3 230.322 0.575 40 0 in-vitro BCABHO CC(C)[N@H+](C)[C@H]1CC[C@@H](NC(=O)CN)CC1 ZINC000150150161 368352358 /nfs/dbraw/zinc/35/23/58/368352358.db2.gz QURGNXSTQKULGJ-XYPYZODXSA-N 1 3 227.352 0.713 40 0 BCABHO CC(C)[N@@H+](C)[C@H]1CC[C@@H](NC(=O)CN)CC1 ZINC000150150161 368352361 /nfs/dbraw/zinc/35/23/61/368352361.db2.gz QURGNXSTQKULGJ-XYPYZODXSA-N 1 3 227.352 0.713 40 0 BCABHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H]1CO ZINC000110763440 369977851 /nfs/dbraw/zinc/97/78/51/369977851.db2.gz KMGUHEOVXWBQHK-MNOVXSKESA-N 1 3 200.326 0.817 40 0 BCABHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H]1CO ZINC000110763440 369977853 /nfs/dbraw/zinc/97/78/53/369977853.db2.gz KMGUHEOVXWBQHK-MNOVXSKESA-N 1 3 200.326 0.817 40 0 BCABHO CCN1CCN(CC[C@@H]([NH3+])C(C)C)CC1 ZINC000058058325 371958267 /nfs/dbraw/zinc/95/82/67/371958267.db2.gz ILIYIDSULOQMEX-GFCCVEGCSA-N 1 3 213.369 0.997 40 0 BCABHO CCN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)N ZINC000079407244 384137952 /nfs/dbraw/zinc/13/79/52/384137952.db2.gz GEEGVVRCKTWNTO-JTQLQIEISA-N 1 3 227.352 0.524 40 0 BCABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407479 384137093 /nfs/dbraw/zinc/13/70/93/384137093.db2.gz LHBMQESMKHTOFZ-UTUOFQBUSA-N 1 3 241.379 0.959 40 0 BCABHO C[C@H](N)C(=O)N(CC1CC[NH+](C)CC1)C1CC1 ZINC000079407425 384137272 /nfs/dbraw/zinc/13/72/72/384137272.db2.gz OBIOWXAJGGJZTN-JTQLQIEISA-N 1 3 239.363 0.666 40 0 BCABHO C[N@H+](C[C@H]1CCCN1C(=O)CN)C1CC1 ZINC000079419366 384143983 /nfs/dbraw/zinc/14/39/83/384143983.db2.gz HUKSUYKXKDHYBA-SNVBAGLBSA-N 1 3 211.309 0.030 40 0 BCABHO C[N@@H+](C[C@H]1CCCN1C(=O)CN)C1CC1 ZINC000079419366 384143990 /nfs/dbraw/zinc/14/39/90/384143990.db2.gz HUKSUYKXKDHYBA-SNVBAGLBSA-N 1 3 211.309 0.030 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177568 384283461 /nfs/dbraw/zinc/28/34/61/384283461.db2.gz HRHHREQZTRBMOL-LPEHRKFASA-N 1 3 213.325 0.323 40 0 BCABHO CN1CCC(C[N@H+](CCO)C2CC2)CC1 ZINC000083318654 384289696 /nfs/dbraw/zinc/28/96/96/384289696.db2.gz YXQDLGMNKWEIBK-UHFFFAOYSA-N 1 3 212.337 0.785 40 0 BCABHO CN1CCC(C[N@@H+](CCO)C2CC2)CC1 ZINC000083318654 384289709 /nfs/dbraw/zinc/28/97/09/384289709.db2.gz YXQDLGMNKWEIBK-UHFFFAOYSA-N 1 3 212.337 0.785 40 0 BCABHO Cc1nc(N2CCNCC2)ccc1[C@H](C)[NH3+] ZINC000072224627 385119507 /nfs/dbraw/zinc/11/95/07/385119507.db2.gz WTMNGKARIAIETK-VIFPVBQESA-N 1 3 220.320 0.819 40 0 BCABHO CCS(=O)(=O)[C@@]1(CN)C[C@@H](C[NH3+])C[C@@H]1C ZINC000096532550 385285456 /nfs/dbraw/zinc/28/54/56/385285456.db2.gz BPSSMVVYPCRBDD-LPEHRKFASA-N 1 3 234.365 0.123 40 0 BCABHO NC(=[NH2+])N1CCC(N2CCSCC2)CC1 ZINC000409424510 385331840 /nfs/dbraw/zinc/33/18/40/385331840.db2.gz CELOAHXYBQWLHV-UHFFFAOYSA-N 1 3 228.365 0.393 40 0 BCABHO CC(C)C[C@H]([NH3+])CN1CCCN(C)CC1 ZINC000020217787 385666902 /nfs/dbraw/zinc/66/69/02/385666902.db2.gz NKNQMZOSROMBJG-LBPRGKRZSA-N 1 3 213.369 0.997 40 0 BCABHO [NH3+][C@H]1CCCC[C@@H]1NCCN1CCOCC1 ZINC000218852709 388392829 /nfs/dbraw/zinc/39/28/29/388392829.db2.gz MUMDWSBDNNTCKK-RYUDHWBXSA-N 1 3 227.352 0.178 40 0 BCABHO CN(C)C(=O)C1CC[NH+](C(C)(C)CN)CC1 ZINC000252481724 388653307 /nfs/dbraw/zinc/65/33/07/388653307.db2.gz CQYPFWQKBQACAB-UHFFFAOYSA-N 1 3 227.352 0.524 40 0 BCABHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCN(C)C ZINC000087121983 135107056 /nfs/dbraw/zinc/10/70/56/135107056.db2.gz MHVQBDFSJRWPGK-UWVGGRQHSA-N 1 3 213.325 0.052 40 0 BCABHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[NH2+]CC[C@@H]21 ZINC000306124803 167035990 /nfs/dbraw/zinc/03/59/90/167035990.db2.gz BZWGVEAQIASYPC-AGIUHOORSA-N 1 3 249.362 0.739 40 0 BCABHO CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CNCC[C@@H]21 ZINC000306124803 167035993 /nfs/dbraw/zinc/03/59/93/167035993.db2.gz BZWGVEAQIASYPC-AGIUHOORSA-N 1 3 249.362 0.739 40 0 BCABHO CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CNCC[C@@H]21 ZINC000306124803 167035994 /nfs/dbraw/zinc/03/59/94/167035994.db2.gz BZWGVEAQIASYPC-AGIUHOORSA-N 1 3 249.362 0.739 40 0 BCABHO CN1CCCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000020246693 173011486 /nfs/dbraw/zinc/01/14/86/173011486.db2.gz FCLPVRZENMFOCY-UHFFFAOYSA-N 1 3 239.363 0.540 40 0 BCABHO CN1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019695428 173023330 /nfs/dbraw/zinc/02/33/30/173023330.db2.gz SBNUDJXEPRZOJL-SNVBAGLBSA-N 1 3 235.335 0.233 40 0 BCABHO CN1CCC[C@@H](c2nc(CCC[NH3+])no2)C1 ZINC000218377286 173023442 /nfs/dbraw/zinc/02/34/42/173023442.db2.gz DHMRNUPJXOEFDA-SECBINFHSA-N 1 3 224.308 0.770 40 0 BCABHO C[C@H](N)C(=O)N(C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242548075 524818907 /nfs/dbraw/zinc/81/89/07/524818907.db2.gz LBMFZWJKOGFOBV-DCAQKATOSA-N 1 3 227.352 0.665 40 0 BCABHO CN1CC[C@H](O)[C@H](C[C@H]2CCC[NH2+]C2)C1 ZINC000242463489 398314130 /nfs/dbraw/zinc/31/41/30/398314130.db2.gz DCXKJKJIJXJQFF-UTUOFQBUSA-N 1 3 212.337 0.689 40 0 BCABHO [NH3+][C@@H]1CCCC[C@@H]1NCCN1CCOCC1 ZINC000218852645 398328925 /nfs/dbraw/zinc/32/89/25/398328925.db2.gz MUMDWSBDNNTCKK-NEPJUHHUSA-N 1 3 227.352 0.178 40 0 BCABHO CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)N ZINC000079419419 187263743 /nfs/dbraw/zinc/26/37/43/187263743.db2.gz IPDRZGHDKJWWRK-WDEREUQCSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)N ZINC000079419419 187263745 /nfs/dbraw/zinc/26/37/45/187263745.db2.gz IPDRZGHDKJWWRK-WDEREUQCSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538775 187268368 /nfs/dbraw/zinc/26/83/68/187268368.db2.gz JJNCQGUDLDTSQA-QWRGUYRKSA-N 1 3 227.352 0.428 40 0 BCABHO CC(C)[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538775 187268370 /nfs/dbraw/zinc/26/83/70/187268370.db2.gz JJNCQGUDLDTSQA-QWRGUYRKSA-N 1 3 227.352 0.428 40 0 BCABHO CC(C)C[N@@H+]1CCOC[C@H]2CNCC[C@@H]21 ZINC000409423233 343814771 /nfs/dbraw/zinc/81/47/71/343814771.db2.gz MTKMILKXAJGUJB-NEPJUHHUSA-N 1 3 212.337 0.953 40 0 BCABHO CC(C)C[N@H+]1CCOC[C@H]2CNCC[C@@H]21 ZINC000409423233 343814773 /nfs/dbraw/zinc/81/47/73/343814773.db2.gz MTKMILKXAJGUJB-NEPJUHHUSA-N 1 3 212.337 0.953 40 0 BCABHO CC(C)CN1CCOC[C@H]2C[NH2+]CC[C@@H]21 ZINC000409423233 343814774 /nfs/dbraw/zinc/81/47/74/343814774.db2.gz MTKMILKXAJGUJB-NEPJUHHUSA-N 1 3 212.337 0.953 40 0 BCABHO CC(C)C[N@@H+]1CCOC[C@H]2CNCC[C@H]21 ZINC000409423237 343814839 /nfs/dbraw/zinc/81/48/39/343814839.db2.gz MTKMILKXAJGUJB-VXGBXAGGSA-N 1 3 212.337 0.953 40 0 BCABHO CC(C)C[N@H+]1CCOC[C@H]2CNCC[C@H]21 ZINC000409423237 343814841 /nfs/dbraw/zinc/81/48/41/343814841.db2.gz MTKMILKXAJGUJB-VXGBXAGGSA-N 1 3 212.337 0.953 40 0 BCABHO CC(C)CN1CCOC[C@H]2C[NH2+]CC[C@H]21 ZINC000409423237 343814843 /nfs/dbraw/zinc/81/48/43/343814843.db2.gz MTKMILKXAJGUJB-VXGBXAGGSA-N 1 3 212.337 0.953 40 0 BCABHO CC1(C)C[N@@H+](C2CCNCC2)C[C@H]1CO ZINC000409434768 343835093 /nfs/dbraw/zinc/83/50/93/343835093.db2.gz QMTRWNSCRHODAR-JTQLQIEISA-N 1 3 212.337 0.689 40 0 BCABHO CC1(C)C[N@H+](C2CCNCC2)C[C@H]1CO ZINC000409434768 343835094 /nfs/dbraw/zinc/83/50/94/343835094.db2.gz QMTRWNSCRHODAR-JTQLQIEISA-N 1 3 212.337 0.689 40 0 BCABHO CC1(C)CN(C2CC[NH2+]CC2)C[C@H]1CO ZINC000409434768 343835095 /nfs/dbraw/zinc/83/50/95/343835095.db2.gz QMTRWNSCRHODAR-JTQLQIEISA-N 1 3 212.337 0.689 40 0 BCABHO CO[C@H]1CCO[C@]2(CCN(CCC[NH3+])C2)C1 ZINC000409435769 343839833 /nfs/dbraw/zinc/83/98/33/343839833.db2.gz WMCFOWCZFCLEQX-NWDGAFQWSA-N 1 3 228.336 0.605 40 0 BCABHO C1CC[NH+]([C@@H]2CCC[C@@H]2N2CCNCC2)C1 ZINC000409437754 343848996 /nfs/dbraw/zinc/84/89/96/343848996.db2.gz BDGSMQPSOLBFBT-OLZOCXBDSA-N 1 3 223.364 0.909 40 0 BCABHO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCN1C ZINC000079407459 188291282 /nfs/dbraw/zinc/29/12/82/188291282.db2.gz AWKZFUDBIYSRKO-ZJUUUORDSA-N 1 3 213.325 0.180 40 0 BCABHO CC(C)N(C[C@H]1CCC[N@H+](C)C1)C(=O)CN ZINC000079406979 188292105 /nfs/dbraw/zinc/29/21/05/188292105.db2.gz SHNDZFIRTRDJJM-NSHDSACASA-N 1 3 227.352 0.524 40 0 BCABHO CC(C)N(C[C@H]1CCC[N@@H+](C)C1)C(=O)CN ZINC000079406979 188292107 /nfs/dbraw/zinc/29/21/07/188292107.db2.gz SHNDZFIRTRDJJM-NSHDSACASA-N 1 3 227.352 0.524 40 0 BCABHO CCN1CCN(CC[C@H]([NH3+])C(C)C)CC1 ZINC000058058321 371957536 /nfs/dbraw/zinc/95/75/36/371957536.db2.gz ILIYIDSULOQMEX-LBPRGKRZSA-N 1 3 213.369 0.997 40 0 BCABHO CCN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H](C)N ZINC000079407242 384134994 /nfs/dbraw/zinc/13/49/94/384134994.db2.gz GHQCYMBMHGDENQ-QWRGUYRKSA-N 1 3 227.352 0.524 40 0 BCABHO CCN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H](C)N ZINC000079407242 384134999 /nfs/dbraw/zinc/13/49/99/384134999.db2.gz GHQCYMBMHGDENQ-QWRGUYRKSA-N 1 3 227.352 0.524 40 0 BCABHO CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(C)C1 ZINC000079407502 384135904 /nfs/dbraw/zinc/13/59/04/384135904.db2.gz RWUFYIGFHGPTBN-UWVGGRQHSA-N 1 3 213.325 0.132 40 0 BCABHO C[C@H](N)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000079407106 384136040 /nfs/dbraw/zinc/13/60/40/384136040.db2.gz HRHHREQZTRBMOL-IDKOKCKLSA-N 1 3 213.325 0.323 40 0 BCABHO C[C@H](N)C(=O)N(C)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407181 384136377 /nfs/dbraw/zinc/13/63/77/384136377.db2.gz BUTQYGAROIBXNU-AXFHLTTASA-N 1 3 227.352 0.665 40 0 BCABHO CCN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H](C)N ZINC000079407194 384136843 /nfs/dbraw/zinc/13/68/43/384136843.db2.gz VTDUWTNWSKWRBA-UWVGGRQHSA-N 1 3 213.325 0.276 40 0 BCABHO CCN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H](C)N ZINC000079407194 384136848 /nfs/dbraw/zinc/13/68/48/384136848.db2.gz VTDUWTNWSKWRBA-UWVGGRQHSA-N 1 3 213.325 0.276 40 0 BCABHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000079430283 384146930 /nfs/dbraw/zinc/14/69/30/384146930.db2.gz UWTSFSVFUHAGDV-JTQLQIEISA-N 1 3 225.336 0.278 40 0 BCABHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000079430283 384146931 /nfs/dbraw/zinc/14/69/31/384146931.db2.gz UWTSFSVFUHAGDV-JTQLQIEISA-N 1 3 225.336 0.278 40 0 BCABHO C[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)C2CC2)C1 ZINC000079419483 384141878 /nfs/dbraw/zinc/14/18/78/384141878.db2.gz CUKRQMHIJBTQQN-VHSXEESVSA-N 1 3 225.336 0.276 40 0 BCABHO C[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)C2CC2)C1 ZINC000079419483 384141879 /nfs/dbraw/zinc/14/18/79/384141879.db2.gz CUKRQMHIJBTQQN-VHSXEESVSA-N 1 3 225.336 0.276 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@H](C[NH+](C)C)C1 ZINC000079419407 384142622 /nfs/dbraw/zinc/14/26/22/384142622.db2.gz QYVHMIUWKJAMOC-VHSXEESVSA-N 1 3 213.325 0.134 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000079419547 384142633 /nfs/dbraw/zinc/14/26/33/384142633.db2.gz BWGSVXNXQYHDKX-QWRGUYRKSA-N 1 3 227.352 0.522 40 0 BCABHO C[C@H](N)C(=O)N1CCCC[C@@H]1C[N@H+](C)C1CC1 ZINC000079419502 384142775 /nfs/dbraw/zinc/14/27/75/384142775.db2.gz XJEFNDJOLXCQHN-CMPLNLGQSA-N 1 3 239.363 0.809 40 0 BCABHO C[C@H](N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)C1CC1 ZINC000079419502 384142780 /nfs/dbraw/zinc/14/27/80/384142780.db2.gz XJEFNDJOLXCQHN-CMPLNLGQSA-N 1 3 239.363 0.809 40 0 BCABHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC1 ZINC000079419527 384144139 /nfs/dbraw/zinc/14/41/39/384144139.db2.gz ODYVHPRLYYAJPJ-WCQGTBRESA-N 1 3 239.363 0.855 40 0 BCABHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC1 ZINC000079419527 384144140 /nfs/dbraw/zinc/14/41/40/384144140.db2.gz ODYVHPRLYYAJPJ-WCQGTBRESA-N 1 3 239.363 0.855 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@H](C[N@H+](C)C2CC2)C1 ZINC000079419516 384144284 /nfs/dbraw/zinc/14/42/84/384144284.db2.gz JDSDHTLGADSAJV-WDEREUQCSA-N 1 3 239.363 0.666 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@H](C[N@@H+](C)C2CC2)C1 ZINC000079419516 384144287 /nfs/dbraw/zinc/14/42/87/384144287.db2.gz JDSDHTLGADSAJV-WDEREUQCSA-N 1 3 239.363 0.666 40 0 BCABHO CC(C)[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079419425 384145222 /nfs/dbraw/zinc/14/52/22/384145222.db2.gz CMOGMHHVHYNUEG-WDEREUQCSA-N 1 3 227.352 0.522 40 0 BCABHO CC(C)[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079419425 384145231 /nfs/dbraw/zinc/14/52/31/384145231.db2.gz CMOGMHHVHYNUEG-WDEREUQCSA-N 1 3 227.352 0.522 40 0 BCABHO COC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000026896612 384415516 /nfs/dbraw/zinc/41/55/16/384415516.db2.gz KVPXVSDIYOYVKS-JTQLQIEISA-N 1 3 226.320 0.623 40 0 BCABHO COC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000026896612 384415521 /nfs/dbraw/zinc/41/55/21/384415521.db2.gz KVPXVSDIYOYVKS-JTQLQIEISA-N 1 3 226.320 0.623 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@@H]([N@H+](C)C2CC2)C1 ZINC000079419495 384495830 /nfs/dbraw/zinc/49/58/30/384495830.db2.gz BXZYKXSUWWNZEA-GXSJLCMTSA-N 1 3 225.336 0.419 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@@H]([N@@H+](C)C2CC2)C1 ZINC000079419495 384495835 /nfs/dbraw/zinc/49/58/35/384495835.db2.gz BXZYKXSUWWNZEA-GXSJLCMTSA-N 1 3 225.336 0.419 40 0 BCABHO CN1CCC[C@@H]1Cc1nc(CC[NH3+])no1 ZINC000258051828 384928662 /nfs/dbraw/zinc/92/86/62/384928662.db2.gz PDBYACPCGXLSMD-MRVPVSSYSA-N 1 3 210.281 0.208 40 0 BCABHO Cc1cc(N2CCNCC2)ncc1[C@H](C)[NH3+] ZINC000072223582 385113316 /nfs/dbraw/zinc/11/33/16/385113316.db2.gz IMHLOZRFKLMBGO-JTQLQIEISA-N 1 3 220.320 0.819 40 0 BCABHO NC[C@H]1CCCC[N@@H+]1CCCN1CCOCC1 ZINC000096523587 385269681 /nfs/dbraw/zinc/26/96/81/385269681.db2.gz ZJOXBCFRRUIQKQ-CYBMUJFWSA-N 1 3 241.379 0.522 40 0 BCABHO NC[C@H]1CCCC[N@H+]1CCCN1CCOCC1 ZINC000096523587 385269684 /nfs/dbraw/zinc/26/96/84/385269684.db2.gz ZJOXBCFRRUIQKQ-CYBMUJFWSA-N 1 3 241.379 0.522 40 0 BCABHO Cn1nccc1CN1CCC(C[NH3+])CC1 ZINC000044512312 386795881 /nfs/dbraw/zinc/79/58/81/386795881.db2.gz HQGDHMMAJFHJCA-UHFFFAOYSA-N 1 3 208.309 0.591 40 0 BCABHO N[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000218852956 388392873 /nfs/dbraw/zinc/39/28/73/388392873.db2.gz DNQYXFJIJSDDGA-OLZOCXBDSA-N 1 3 241.379 0.568 40 0 BCABHO [NH3+][C@@H]1CCCC[C@@H]1NCCCN1CCOCC1 ZINC000218852956 388392876 /nfs/dbraw/zinc/39/28/76/388392876.db2.gz DNQYXFJIJSDDGA-OLZOCXBDSA-N 1 3 241.379 0.568 40 0 BCABHO CN(C)CCN1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225712254 388841106 /nfs/dbraw/zinc/84/11/06/388841106.db2.gz IHZPMEFRGBJJMK-RYUDHWBXSA-N 1 3 211.353 0.764 40 0 BCABHO CN1CCC([NH2+][C@@H]2CCCC[C@@H]2N)CC1 ZINC000225720390 388842472 /nfs/dbraw/zinc/84/24/72/388842472.db2.gz RCWJXZXIEZZDJZ-NWDGAFQWSA-N 1 3 211.353 0.940 40 0 BCABHO CN1CCC(c2nnc(CCC[NH3+])o2)CC1 ZINC000095828887 173002127 /nfs/dbraw/zinc/00/21/27/173002127.db2.gz VAIMPVMCVHTSOB-UHFFFAOYSA-N 1 3 224.308 0.770 40 0 BCABHO CN1CCC2=NNC3(CC[NH+](C)CC3)[C@H]2C1 ZINC000091244425 173002901 /nfs/dbraw/zinc/00/29/01/173002901.db2.gz LMWHQYILCVJMCX-JTQLQIEISA-N 1 3 222.336 0.362 40 0 BCABHO CN1CCC[C@H](c2nnc(CC[NH3+])o2)C1 ZINC000095828880 173048456 /nfs/dbraw/zinc/04/84/56/173048456.db2.gz YYCRESYKHURAJR-QMMMGPOBSA-N 1 3 210.281 0.380 40 0 BCABHO C[N@H+]1CCc2nnc([C@H]3CCCN3)n2CC1 ZINC000257344217 173174780 /nfs/dbraw/zinc/17/47/80/173174780.db2.gz ZWEPIAGNGYESPC-SECBINFHSA-N 1 3 221.308 0.191 40 0 BCABHO C[N@@H+]1CCc2nnc([C@H]3CCCN3)n2CC1 ZINC000257344217 173174782 /nfs/dbraw/zinc/17/47/82/173174782.db2.gz ZWEPIAGNGYESPC-SECBINFHSA-N 1 3 221.308 0.191 40 0 BCABHO C[C@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)C ZINC000022939173 177238352 /nfs/dbraw/zinc/23/83/52/177238352.db2.gz KXVDQAXQVMYJPY-SRVKXCTJSA-N 1 3 213.369 0.866 40 0 BCABHO C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN(C)C ZINC000022939173 177238353 /nfs/dbraw/zinc/23/83/53/177238353.db2.gz KXVDQAXQVMYJPY-SRVKXCTJSA-N 1 3 213.369 0.866 40 0 BCABHO C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN(C)C ZINC000022939173 177238356 /nfs/dbraw/zinc/23/83/56/177238356.db2.gz KXVDQAXQVMYJPY-SRVKXCTJSA-N 1 3 213.369 0.866 40 0 BCABHO C[C@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCN(C)C ZINC000022027234 177239899 /nfs/dbraw/zinc/23/98/99/177239899.db2.gz KXVDQAXQVMYJPY-SDDRHHMPSA-N 1 3 213.369 0.866 40 0 BCABHO C[C@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN(C)C ZINC000022027234 177239900 /nfs/dbraw/zinc/23/99/00/177239900.db2.gz KXVDQAXQVMYJPY-SDDRHHMPSA-N 1 3 213.369 0.866 40 0 BCABHO C[C@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN(C)C ZINC000022027234 177239901 /nfs/dbraw/zinc/23/99/01/177239901.db2.gz KXVDQAXQVMYJPY-SDDRHHMPSA-N 1 3 213.369 0.866 40 0 BCABHO N[C@@H]1c2ccc3ccccc3c2[C@H]([NH3+])[C@@H](O)[C@H]1O ZINC000575624214 491098165 /nfs/dbraw/zinc/09/81/65/491098165.db2.gz PBNDDWOYJPUOBO-ZOBORPQBSA-N 1 3 244.294 0.575 40 0 BCABHO CCN(C(=O)CN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242522208 519911366 /nfs/dbraw/zinc/91/13/66/519911366.db2.gz IMEIFURLLCULBI-XYPYZODXSA-N 1 3 227.352 0.666 40 0 BCABHO C[NH2+]Cc1ccc(N2CCNCC2)nc1C ZINC000072224633 259321704 /nfs/dbraw/zinc/32/17/04/259321704.db2.gz QPIGTXXCJYHMRJ-UHFFFAOYSA-N 1 3 220.320 0.519 40 0 BCABHO N[C@H]1CCCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000218853174 398328913 /nfs/dbraw/zinc/32/89/13/398328913.db2.gz DNQYXFJIJSDDGA-QWHCGFSZSA-N 1 3 241.379 0.568 40 0 BCABHO [NH3+][C@H]1CCCC[C@H]1NCCCN1CCOCC1 ZINC000218853174 398328914 /nfs/dbraw/zinc/32/89/14/398328914.db2.gz DNQYXFJIJSDDGA-QWHCGFSZSA-N 1 3 241.379 0.568 40 0 BCABHO CC[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000095096499 346932605 /nfs/dbraw/zinc/93/26/05/346932605.db2.gz DNIQSYZEBGCNGC-JTQLQIEISA-N 1 3 209.297 0.394 40 0 BCABHO CC[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000095096499 346932607 /nfs/dbraw/zinc/93/26/07/346932607.db2.gz DNIQSYZEBGCNGC-JTQLQIEISA-N 1 3 209.297 0.394 40 0 BCABHO C[C@@H](O)C1CC[NH+](C2CCNCC2)CC1 ZINC000235284504 343794699 /nfs/dbraw/zinc/79/46/99/343794699.db2.gz HJUIWAAMAQUJHH-SNVBAGLBSA-N 1 3 212.337 0.831 40 0 BCABHO C(C1CC1)[N@@H+]1CCOC[C@@H]2CNCC[C@H]21 ZINC000409422212 343812699 /nfs/dbraw/zinc/81/26/99/343812699.db2.gz BXMFUKKNXYSGGE-NWDGAFQWSA-N 1 3 210.321 0.707 40 0 BCABHO C(C1CC1)[N@H+]1CCOC[C@@H]2CNCC[C@H]21 ZINC000409422212 343812701 /nfs/dbraw/zinc/81/27/01/343812701.db2.gz BXMFUKKNXYSGGE-NWDGAFQWSA-N 1 3 210.321 0.707 40 0 BCABHO C(C1CC1)N1CCOC[C@@H]2C[NH2+]CC[C@H]21 ZINC000409422212 343812704 /nfs/dbraw/zinc/81/27/04/343812704.db2.gz BXMFUKKNXYSGGE-NWDGAFQWSA-N 1 3 210.321 0.707 40 0 BCABHO COC[C@H]1C[N@@H+](C2CCNCC2)C[C@H]1C ZINC000409425693 343820518 /nfs/dbraw/zinc/82/05/18/343820518.db2.gz GNGIHPOXQZXAHM-GHMZBOCLSA-N 1 3 212.337 0.953 40 0 BCABHO COC[C@H]1C[N@H+](C2CCNCC2)C[C@H]1C ZINC000409425693 343820521 /nfs/dbraw/zinc/82/05/21/343820521.db2.gz GNGIHPOXQZXAHM-GHMZBOCLSA-N 1 3 212.337 0.953 40 0 BCABHO NCCC[N@@H+]1C[C@H]2CCCC[C@@]2(CO)C1 ZINC000409426369 343822613 /nfs/dbraw/zinc/82/26/13/343822613.db2.gz CDUFPKPAHHGJGX-NEPJUHHUSA-N 1 3 212.337 0.820 40 0 BCABHO NCCC[N@H+]1C[C@H]2CCCC[C@@]2(CO)C1 ZINC000409426369 343822615 /nfs/dbraw/zinc/82/26/15/343822615.db2.gz CDUFPKPAHHGJGX-NEPJUHHUSA-N 1 3 212.337 0.820 40 0 BCABHO O[C@H]1CC[N@@H+](C2CCNCC2)C[C@H]1CCF ZINC000409435027 343835386 /nfs/dbraw/zinc/83/53/86/343835386.db2.gz SBEGEVHQWRQTOD-PWSUYJOCSA-N 1 3 230.327 0.781 40 0 BCABHO O[C@H]1CC[N@H+](C2CCNCC2)C[C@H]1CCF ZINC000409435027 343835390 /nfs/dbraw/zinc/83/53/90/343835390.db2.gz SBEGEVHQWRQTOD-PWSUYJOCSA-N 1 3 230.327 0.781 40 0 BCABHO NC(=[NH2+])C1(O)CCN(Cc2ccccc2)CC1 ZINC000026896756 181185795 /nfs/dbraw/zinc/18/57/95/181185795.db2.gz DRCYENKLDBAOEH-UHFFFAOYSA-N 1 3 233.315 0.949 40 0 BCABHO NC(=[NH2+])NCCN1CC2CCC(CC2)C1 ZINC000001639137 181189592 /nfs/dbraw/zinc/18/95/92/181189592.db2.gz ULXMXQFKDMBKPO-UHFFFAOYSA-N 1 3 210.325 0.591 40 0 BCABHO CN(C)C[C@H]1CC(=O)[C@H](C[NH+](C)C)CC1=O ZINC000001717766 383928676 /nfs/dbraw/zinc/92/86/76/383928676.db2.gz QINBNIQHVSHFQT-AOOOYVTPSA-N 1 3 226.320 0.274 40 0 BCABHO CN(C)C[C@@H]1CC(=O)[C@@H](C[NH+](C)C)CC1=O ZINC000001717766 383928682 /nfs/dbraw/zinc/92/86/82/383928682.db2.gz QINBNIQHVSHFQT-AOOOYVTPSA-N 1 3 226.320 0.274 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407124 384134756 /nfs/dbraw/zinc/13/47/56/384134756.db2.gz WBVLEMOBQLWAOK-LPEHRKFASA-N 1 3 213.325 0.323 40 0 BCABHO CC(C)N(C[C@@H]1CCC[N@H+](C)C1)C(=O)CN ZINC000079406976 384134780 /nfs/dbraw/zinc/13/47/80/384134780.db2.gz SHNDZFIRTRDJJM-LLVKDONJSA-N 1 3 227.352 0.524 40 0 BCABHO CC(C)N(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CN ZINC000079406976 384134786 /nfs/dbraw/zinc/13/47/86/384134786.db2.gz SHNDZFIRTRDJJM-LLVKDONJSA-N 1 3 227.352 0.524 40 0 BCABHO CCN(C(=O)CN)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406917 384135171 /nfs/dbraw/zinc/13/51/71/384135171.db2.gz QXGGMYDCPOVOOW-QWRGUYRKSA-N 1 3 227.352 0.666 40 0 BCABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407489 384135405 /nfs/dbraw/zinc/13/54/05/384135405.db2.gz LHBMQESMKHTOFZ-TUAOUCFPSA-N 1 3 241.379 0.959 40 0 BCABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407472 384136648 /nfs/dbraw/zinc/13/66/48/384136648.db2.gz LHBMQESMKHTOFZ-SRVKXCTJSA-N 1 3 241.379 0.959 40 0 BCABHO C[NH+]1CCC(CN(C(=O)CN)C2CC2)CC1 ZINC000079407069 384136919 /nfs/dbraw/zinc/13/69/19/384136919.db2.gz CJFGMEGIWUUJKF-UHFFFAOYSA-N 1 3 225.336 0.278 40 0 BCABHO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H](C)N ZINC000079407206 384137187 /nfs/dbraw/zinc/13/71/87/384137187.db2.gz OYKGTFMXHDQVLW-VHSXEESVSA-N 1 3 213.325 0.134 40 0 BCABHO CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H](C)N ZINC000079407206 384137194 /nfs/dbraw/zinc/13/71/94/384137194.db2.gz OYKGTFMXHDQVLW-VHSXEESVSA-N 1 3 213.325 0.134 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[NH+](C)C)C1 ZINC000079419560 384141776 /nfs/dbraw/zinc/14/17/76/384141776.db2.gz FHTGPUYNVHQKRN-NEPJUHHUSA-N 1 3 241.379 0.770 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC000079419623 384145542 /nfs/dbraw/zinc/14/55/42/384145542.db2.gz PPDCLTWNXQQLBR-NEPJUHHUSA-N 1 3 239.363 0.665 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC000079419623 384145547 /nfs/dbraw/zinc/14/55/47/384145547.db2.gz PPDCLTWNXQQLBR-NEPJUHHUSA-N 1 3 239.363 0.665 40 0 BCABHO CCS(=O)(=O)[C@@]1(CN)C[C@H](C[NH3+])C[C@@H]1C ZINC000096532546 385285424 /nfs/dbraw/zinc/28/54/24/385285424.db2.gz BPSSMVVYPCRBDD-IVZWLZJFSA-N 1 3 234.365 0.123 40 0 BCABHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN(C)C ZINC000087121974 135106920 /nfs/dbraw/zinc/10/69/20/135106920.db2.gz MHVQBDFSJRWPGK-NXEZZACHSA-N 1 3 213.325 0.052 40 0 BCABHO CCS(=O)(=O)[C@]1(CN)C[C@@H](C[NH3+])C[C@H]1C ZINC000242425585 388720641 /nfs/dbraw/zinc/72/06/41/388720641.db2.gz BPSSMVVYPCRBDD-UTLUCORTSA-N 1 3 234.365 0.123 40 0 BCABHO COc1c(N)cc(C[NH3+])cc1CN(C)C ZINC000225723549 388842563 /nfs/dbraw/zinc/84/25/63/388842563.db2.gz NVMDJOJKTBEPHJ-UHFFFAOYSA-N 1 3 209.293 0.798 40 0 BCABHO CN1CCC([N@@H+]2CCN[C@@H]3CCC[C@H]32)CC1 ZINC000218846989 411177771 /nfs/dbraw/zinc/17/77/71/411177771.db2.gz XANNMPQJDUHBRQ-CHWSQXEVSA-N 1 3 223.364 0.907 40 0 BCABHO CN1CCC([N@H+]2CCN[C@@H]3CCC[C@H]32)CC1 ZINC000218846989 411177772 /nfs/dbraw/zinc/17/77/72/411177772.db2.gz XANNMPQJDUHBRQ-CHWSQXEVSA-N 1 3 223.364 0.907 40 0 BCABHO CC[C@H](C)[C@@H]([NH3+])CN1CCCN(C)CC1 ZINC000020217793 171372613 /nfs/dbraw/zinc/37/26/13/171372613.db2.gz OIOOWQXSOJKXCN-RYUDHWBXSA-N 1 3 213.369 0.997 40 0 BCABHO CN1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019695429 173047569 /nfs/dbraw/zinc/04/75/69/173047569.db2.gz SBNUDJXEPRZOJL-JTQLQIEISA-N 1 3 235.335 0.233 40 0 BCABHO CN1CCC[C@H](c2nc(CCC[NH3+])no2)C1 ZINC000218377206 173047809 /nfs/dbraw/zinc/04/78/09/173047809.db2.gz DHMRNUPJXOEFDA-VIFPVBQESA-N 1 3 224.308 0.770 40 0 BCABHO C[NH+](C)[C@H]1CC[C@H](N(C(=O)CN)C2CC2)CC1 ZINC000248026140 522104889 /nfs/dbraw/zinc/10/48/89/522104889.db2.gz SGMTZQZAGCMSLI-XYPYZODXSA-N 1 3 239.363 0.809 40 0 BCABHO COC(=O)[C@@H](C)CNCCC[NH+](C)C ZINC000035133545 343286046 /nfs/dbraw/zinc/28/60/46/343286046.db2.gz UHZBRCRZQLOYJA-VIFPVBQESA-N 1 3 202.298 0.337 40 0 BCABHO COC(=O)C[C@H](C)NCCC[NH+](C)C ZINC000035748431 343303581 /nfs/dbraw/zinc/30/35/81/343303581.db2.gz VVGXXOWZXNYRRA-VIFPVBQESA-N 1 3 202.298 0.479 40 0 BCABHO CC(C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484890 343310185 /nfs/dbraw/zinc/31/01/85/343310185.db2.gz YQYUNIJMUFIMHF-ZJUUUORDSA-N 1 3 213.325 0.038 40 0 BCABHO CC(C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484890 343310186 /nfs/dbraw/zinc/31/01/86/343310186.db2.gz YQYUNIJMUFIMHF-ZJUUUORDSA-N 1 3 213.325 0.038 40 0 BCABHO C(C1CC1)[N@@H+]1CCOC[C@@H]2CNCC[C@@H]21 ZINC000409422214 343812735 /nfs/dbraw/zinc/81/27/35/343812735.db2.gz BXMFUKKNXYSGGE-RYUDHWBXSA-N 1 3 210.321 0.707 40 0 BCABHO C(C1CC1)[N@H+]1CCOC[C@@H]2CNCC[C@@H]21 ZINC000409422214 343812738 /nfs/dbraw/zinc/81/27/38/343812738.db2.gz BXMFUKKNXYSGGE-RYUDHWBXSA-N 1 3 210.321 0.707 40 0 BCABHO C(C1CC1)N1CCOC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000409422214 343812740 /nfs/dbraw/zinc/81/27/40/343812740.db2.gz BXMFUKKNXYSGGE-RYUDHWBXSA-N 1 3 210.321 0.707 40 0 BCABHO NCc1cn(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000409424909 343817801 /nfs/dbraw/zinc/81/78/01/343817801.db2.gz IOHKZFYKTFPAIP-NSHDSACASA-N 1 3 217.276 0.437 40 0 BCABHO C[C@H](O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000409425151 343818307 /nfs/dbraw/zinc/81/83/07/343818307.db2.gz FFFIXTAJALOUFL-WDEREUQCSA-N 1 3 212.337 0.831 40 0 BCABHO C[C@H](O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000409425151 343818309 /nfs/dbraw/zinc/81/83/09/343818309.db2.gz FFFIXTAJALOUFL-WDEREUQCSA-N 1 3 212.337 0.831 40 0 BCABHO C[C@H](O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000409425151 343818313 /nfs/dbraw/zinc/81/83/13/343818313.db2.gz FFFIXTAJALOUFL-WDEREUQCSA-N 1 3 212.337 0.831 40 0 BCABHO CC[C@H]1C[N@@H+](C2CCNCC2)CC[C@H]1O ZINC000409432024 343824955 /nfs/dbraw/zinc/82/49/55/343824955.db2.gz KNHRFPBYHWYMHA-CMPLNLGQSA-N 1 3 212.337 0.831 40 0 BCABHO CC[C@H]1C[N@H+](C2CCNCC2)CC[C@H]1O ZINC000409432024 343824958 /nfs/dbraw/zinc/82/49/58/343824958.db2.gz KNHRFPBYHWYMHA-CMPLNLGQSA-N 1 3 212.337 0.831 40 0 BCABHO CC[C@H]1CN(C2CC[NH2+]CC2)CC[C@H]1O ZINC000409432024 343824960 /nfs/dbraw/zinc/82/49/60/343824960.db2.gz KNHRFPBYHWYMHA-CMPLNLGQSA-N 1 3 212.337 0.831 40 0 BCABHO OC[C@H]1C[N@@H+](C2CCNCC2)CC12CCC2 ZINC000409436367 343838807 /nfs/dbraw/zinc/83/88/07/343838807.db2.gz ZNUGAHIUKRSKPW-LLVKDONJSA-N 1 3 224.348 0.833 40 0 BCABHO OC[C@H]1C[N@H+](C2CCNCC2)CC12CCC2 ZINC000409436367 343838809 /nfs/dbraw/zinc/83/88/09/343838809.db2.gz ZNUGAHIUKRSKPW-LLVKDONJSA-N 1 3 224.348 0.833 40 0 BCABHO OC[C@H]1CN(C2CC[NH2+]CC2)CC12CCC2 ZINC000409436367 343838810 /nfs/dbraw/zinc/83/88/10/343838810.db2.gz ZNUGAHIUKRSKPW-LLVKDONJSA-N 1 3 224.348 0.833 40 0 BCABHO C[N@H+](C1CC1)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000101677024 347287861 /nfs/dbraw/zinc/28/78/61/347287861.db2.gz SUSXUPCMBSPIBV-MNOVXSKESA-N 1 3 225.336 0.467 40 0 BCABHO C[N@@H+](C1CC1)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000101677024 347287863 /nfs/dbraw/zinc/28/78/63/347287863.db2.gz SUSXUPCMBSPIBV-MNOVXSKESA-N 1 3 225.336 0.467 40 0 BCABHO C[NH+]1CCC(N(C(=O)CN)C2CC2)CC1 ZINC000079407043 384136753 /nfs/dbraw/zinc/13/67/53/384136753.db2.gz FNWCDTTYIDAXQX-UHFFFAOYSA-N 1 3 211.309 0.030 40 0 BCABHO C[NH+](C)[C@H]1CCCC[C@@H]1N(C(=O)CN)C1CC1 ZINC000079407080 384136858 /nfs/dbraw/zinc/13/68/58/384136858.db2.gz VPPVCXMYHRHOGJ-RYUDHWBXSA-N 1 3 239.363 0.809 40 0 BCABHO CC(C)N(CC1CC[NH+](C)CC1)C(=O)CN ZINC000079406985 384137111 /nfs/dbraw/zinc/13/71/11/384137111.db2.gz DRRDLDLBSAILIN-UHFFFAOYSA-N 1 3 227.352 0.524 40 0 BCABHO CCN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H](N)C(C)C ZINC000079407566 384137504 /nfs/dbraw/zinc/13/75/04/384137504.db2.gz MJBKSWLKZOCHTK-RYUDHWBXSA-N 1 3 241.379 0.912 40 0 BCABHO CCN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H](N)C(C)C ZINC000079407566 384137513 /nfs/dbraw/zinc/13/75/13/384137513.db2.gz MJBKSWLKZOCHTK-RYUDHWBXSA-N 1 3 241.379 0.912 40 0 BCABHO CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000079407522 384137680 /nfs/dbraw/zinc/13/76/80/384137680.db2.gz GIGLMGBJAUIDLG-RYUDHWBXSA-N 1 3 241.379 0.770 40 0 BCABHO CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000079407522 384137687 /nfs/dbraw/zinc/13/76/87/384137687.db2.gz GIGLMGBJAUIDLG-RYUDHWBXSA-N 1 3 241.379 0.770 40 0 BCABHO C[N@H+](C[C@H]1CCCCN1C(=O)CN)C1CC1 ZINC000079424923 384146596 /nfs/dbraw/zinc/14/65/96/384146596.db2.gz BZYHZYCWHAIBFT-LLVKDONJSA-N 1 3 225.336 0.420 40 0 BCABHO C[N@@H+](C[C@H]1CCCCN1C(=O)CN)C1CC1 ZINC000079424923 384146599 /nfs/dbraw/zinc/14/65/99/384146599.db2.gz BZYHZYCWHAIBFT-LLVKDONJSA-N 1 3 225.336 0.420 40 0 BCABHO C[C@H](N)C(=O)N1CCC(C[N@H+](C)C2CC2)CC1 ZINC000079419521 384142069 /nfs/dbraw/zinc/14/20/69/384142069.db2.gz JZWUIFIXUMQEEP-JTQLQIEISA-N 1 3 239.363 0.666 40 0 BCABHO C[C@H](N)C(=O)N1CCC(C[N@@H+](C)C2CC2)CC1 ZINC000079419521 384142072 /nfs/dbraw/zinc/14/20/72/384142072.db2.gz JZWUIFIXUMQEEP-JTQLQIEISA-N 1 3 239.363 0.666 40 0 BCABHO CC(C)[N@H+](C)C[C@@H]1CCN(C(=O)CN)C1 ZINC000079419306 384143158 /nfs/dbraw/zinc/14/31/58/384143158.db2.gz WHECSIFRZNGWTR-JTQLQIEISA-N 1 3 213.325 0.134 40 0 BCABHO CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN)C1 ZINC000079419306 384143168 /nfs/dbraw/zinc/14/31/68/384143168.db2.gz WHECSIFRZNGWTR-JTQLQIEISA-N 1 3 213.325 0.134 40 0 BCABHO C[C@H](N)C(=O)NC1CCC([N@H+](C)C2CC2)CC1 ZINC000079419524 384144949 /nfs/dbraw/zinc/14/49/49/384144949.db2.gz ZEKNMOYSTCUUIH-WHXUTIOJSA-N 1 3 239.363 0.855 40 0 BCABHO C[C@H](N)C(=O)NC1CCC([N@@H+](C)C2CC2)CC1 ZINC000079419524 384144954 /nfs/dbraw/zinc/14/49/54/384144954.db2.gz ZEKNMOYSTCUUIH-WHXUTIOJSA-N 1 3 239.363 0.855 40 0 BCABHO C[NH+](C)[C@H]1CC[C@H](N(C(=O)CN)C2CC2)CC1 ZINC000100178293 384283276 /nfs/dbraw/zinc/28/32/76/384283276.db2.gz SGMTZQZAGCMSLI-PHIMTYICSA-N 1 3 239.363 0.809 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000079419543 384495038 /nfs/dbraw/zinc/49/50/38/384495038.db2.gz JRUABEXCBREGFR-QWRGUYRKSA-N 1 3 227.352 0.380 40 0 BCABHO CN(C)CCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082303070 384663934 /nfs/dbraw/zinc/66/39/34/384663934.db2.gz BDMYDZPNBXSDCW-JTQLQIEISA-N 1 3 213.325 0.006 40 0 BCABHO CN(C)CCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082303070 384663936 /nfs/dbraw/zinc/66/39/36/384663936.db2.gz BDMYDZPNBXSDCW-JTQLQIEISA-N 1 3 213.325 0.006 40 0 BCABHO Cc1nc(N2CCNCC2)ccc1[C@@H](C)[NH3+] ZINC000072224626 385119366 /nfs/dbraw/zinc/11/93/66/385119366.db2.gz WTMNGKARIAIETK-SECBINFHSA-N 1 3 220.320 0.819 40 0 BCABHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H]1CO ZINC000096523458 385797324 /nfs/dbraw/zinc/79/73/24/385797324.db2.gz KMGUHEOVXWBQHK-GHMZBOCLSA-N 1 3 200.326 0.817 40 0 BCABHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H]1CO ZINC000096523458 385797329 /nfs/dbraw/zinc/79/73/29/385797329.db2.gz KMGUHEOVXWBQHK-GHMZBOCLSA-N 1 3 200.326 0.817 40 0 BCABHO C[NH+](C)CCOCc1ncn2c1CNCCC2 ZINC000306145138 385992749 /nfs/dbraw/zinc/99/27/49/385992749.db2.gz ZZGAKKWKSNLKKD-UHFFFAOYSA-N 1 3 238.335 0.455 40 0 BCABHO CN(C)CCN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000218830285 386052915 /nfs/dbraw/zinc/05/29/15/386052915.db2.gz IHZPMEFRGBJJMK-NWDGAFQWSA-N 1 3 211.353 0.764 40 0 BCABHO CN(C(=O)[C@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000019408426 343773841 /nfs/dbraw/zinc/77/38/41/343773841.db2.gz XPJIZEUYWMHBTF-NSHDSACASA-N 1 3 239.363 0.539 40 0 BCABHO C[C@H](O)C1CC[NH+](C2CCNCC2)CC1 ZINC000235542130 343795462 /nfs/dbraw/zinc/79/54/62/343795462.db2.gz HJUIWAAMAQUJHH-JTQLQIEISA-N 1 3 212.337 0.831 40 0 BCABHO COC[C@H]1C[N@@H+](C2CCNCC2)C[C@@H]1C ZINC000409425696 343820529 /nfs/dbraw/zinc/82/05/29/343820529.db2.gz GNGIHPOXQZXAHM-WDEREUQCSA-N 1 3 212.337 0.953 40 0 BCABHO COC[C@H]1C[N@H+](C2CCNCC2)C[C@@H]1C ZINC000409425696 343820532 /nfs/dbraw/zinc/82/05/32/343820532.db2.gz GNGIHPOXQZXAHM-WDEREUQCSA-N 1 3 212.337 0.953 40 0 BCABHO NCCC[N@@H+]1C[C@@H]2CCCC[C@@]2(CO)C1 ZINC000409426371 343822621 /nfs/dbraw/zinc/82/26/21/343822621.db2.gz CDUFPKPAHHGJGX-RYUDHWBXSA-N 1 3 212.337 0.820 40 0 BCABHO NCCC[N@H+]1C[C@@H]2CCCC[C@@]2(CO)C1 ZINC000409426371 343822623 /nfs/dbraw/zinc/82/26/23/343822623.db2.gz CDUFPKPAHHGJGX-RYUDHWBXSA-N 1 3 212.337 0.820 40 0 BCABHO [NH3+]CCCN1CC[C@@H](O)[C@@H](CC2CC2)C1 ZINC000409429426 343805689 /nfs/dbraw/zinc/80/56/89/343805689.db2.gz HKUSBGAKDTYWRT-NWDGAFQWSA-N 1 3 212.337 0.818 40 0 BCABHO [NH3+]CCCN1CC[C@H](O)[C@H](CC2CC2)C1 ZINC000409429405 343805715 /nfs/dbraw/zinc/80/57/15/343805715.db2.gz HKUSBGAKDTYWRT-NEPJUHHUSA-N 1 3 212.337 0.818 40 0 BCABHO CCC[C@@H]1C[N@H+](CCCN)CC[C@H]1O ZINC000409435088 343836272 /nfs/dbraw/zinc/83/62/72/343836272.db2.gz SHABCNHOKJBKPS-GHMZBOCLSA-N 1 3 200.326 0.818 40 0 BCABHO CCC[C@@H]1C[N@@H+](CCCN)CC[C@H]1O ZINC000409435088 343836274 /nfs/dbraw/zinc/83/62/74/343836274.db2.gz SHABCNHOKJBKPS-GHMZBOCLSA-N 1 3 200.326 0.818 40 0 BCABHO C1CC[NH+]([C@H]2CCC[C@H]2N2CCNCC2)C1 ZINC000409437755 343848866 /nfs/dbraw/zinc/84/88/66/343848866.db2.gz BDGSMQPSOLBFBT-QWHCGFSZSA-N 1 3 223.364 0.909 40 0 BCABHO C1C[C@H](N2CCNCC2)[C@@H]([NH+]2CCCC2)C1 ZINC000409437758 343848956 /nfs/dbraw/zinc/84/89/56/343848956.db2.gz BDGSMQPSOLBFBT-STQMWFEESA-N 1 3 223.364 0.909 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000079419553 187427741 /nfs/dbraw/zinc/42/77/41/187427741.db2.gz VMSUZKNSTJAMPL-NEPJUHHUSA-N 1 3 241.379 0.912 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192188 188112740 /nfs/dbraw/zinc/11/27/40/188112740.db2.gz CKKRDIPBZBTMMX-NSHDSACASA-N 1 3 227.352 0.522 40 0 BCABHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)N)CC1 ZINC000037826024 383893438 /nfs/dbraw/zinc/89/34/38/383893438.db2.gz WNMUBDYMJYDTSO-NSHDSACASA-N 1 3 241.379 0.912 40 0 BCABHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)N)CC1 ZINC000037826024 383893442 /nfs/dbraw/zinc/89/34/42/383893442.db2.gz WNMUBDYMJYDTSO-NSHDSACASA-N 1 3 241.379 0.912 40 0 BCABHO C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000079407143 384134810 /nfs/dbraw/zinc/13/48/10/384134810.db2.gz KCGIYIVTOJXTEM-VHSXEESVSA-N 1 3 213.325 0.134 40 0 BCABHO C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000079407143 384134819 /nfs/dbraw/zinc/13/48/19/384134819.db2.gz KCGIYIVTOJXTEM-VHSXEESVSA-N 1 3 213.325 0.134 40 0 BCABHO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCN(C)C1 ZINC000079407661 384135093 /nfs/dbraw/zinc/13/50/93/384135093.db2.gz RIGURTVBDABWNJ-RYUDHWBXSA-N 1 3 241.379 0.911 40 0 BCABHO CN(C(=O)CN)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406847 384135186 /nfs/dbraw/zinc/13/51/86/384135186.db2.gz SINGDZPSPZDUAI-VHSXEESVSA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CCCN(C)C1 ZINC000079407303 384135866 /nfs/dbraw/zinc/13/58/66/384135866.db2.gz ADKSXRAGEQOHEM-QWRGUYRKSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)N(CC1CC[NH+](C)CC1)C(=O)[C@H](C)N ZINC000079407340 384135961 /nfs/dbraw/zinc/13/59/61/384135961.db2.gz KSRZGVHUXUGBTB-NSHDSACASA-N 1 3 241.379 0.912 40 0 BCABHO C[N@@H+]1CCC[C@@H](CN(C(=O)CN)C2CC2)C1 ZINC000079407063 384136050 /nfs/dbraw/zinc/13/60/50/384136050.db2.gz HZXURALNIVEIAZ-SNVBAGLBSA-N 1 3 225.336 0.278 40 0 BCABHO C[N@H+]1CCC[C@@H](CN(C(=O)CN)C2CC2)C1 ZINC000079407063 384136054 /nfs/dbraw/zinc/13/60/54/384136054.db2.gz HZXURALNIVEIAZ-SNVBAGLBSA-N 1 3 225.336 0.278 40 0 BCABHO CC(C)N(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H](C)N ZINC000079407280 384136063 /nfs/dbraw/zinc/13/60/63/384136063.db2.gz AILVBEINJVIWCI-QWRGUYRKSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)N(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H](C)N ZINC000079407280 384136066 /nfs/dbraw/zinc/13/60/66/384136066.db2.gz AILVBEINJVIWCI-QWRGUYRKSA-N 1 3 227.352 0.665 40 0 BCABHO C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCN(C)C1 ZINC000079407368 384137030 /nfs/dbraw/zinc/13/70/30/384137030.db2.gz SXNOEKHZFPPOTM-WPRPVWTQSA-N 1 3 211.309 0.029 40 0 BCABHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407119 384137784 /nfs/dbraw/zinc/13/77/84/384137784.db2.gz WBVLEMOBQLWAOK-IVZWLZJFSA-N 1 3 213.325 0.323 40 0 BCABHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079419414 384142750 /nfs/dbraw/zinc/14/27/50/384142750.db2.gz IFBTYPAODSZQII-UWVGGRQHSA-N 1 3 213.325 0.275 40 0 BCABHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079419414 384142756 /nfs/dbraw/zinc/14/27/56/384142756.db2.gz IFBTYPAODSZQII-UWVGGRQHSA-N 1 3 213.325 0.275 40 0 BCABHO C[C@H](N)C(=O)N1CC[C@H]([N@H+](C)C2CC2)C1 ZINC000079419470 384143195 /nfs/dbraw/zinc/14/31/95/384143195.db2.gz NAEFKELBJLUQPP-WPRPVWTQSA-N 1 3 211.309 0.029 40 0 BCABHO C[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC000079419470 384143203 /nfs/dbraw/zinc/14/32/03/384143203.db2.gz NAEFKELBJLUQPP-WPRPVWTQSA-N 1 3 211.309 0.029 40 0 BCABHO CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079419450 384143284 /nfs/dbraw/zinc/14/32/84/384143284.db2.gz SXHDLPXFPJVZFD-RYUDHWBXSA-N 1 3 241.379 0.912 40 0 BCABHO CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079419450 384143291 /nfs/dbraw/zinc/14/32/91/384143291.db2.gz SXHDLPXFPJVZFD-RYUDHWBXSA-N 1 3 241.379 0.912 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@H+](C)C1CC1 ZINC000079419530 384144465 /nfs/dbraw/zinc/14/44/65/384144465.db2.gz ODYVHPRLYYAJPJ-DLOVCJGASA-N 1 3 239.363 0.855 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC1 ZINC000079419530 384144472 /nfs/dbraw/zinc/14/44/72/384144472.db2.gz ODYVHPRLYYAJPJ-DLOVCJGASA-N 1 3 239.363 0.855 40 0 BCABHO CC(C)[N@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079419342 384144748 /nfs/dbraw/zinc/14/47/48/384144748.db2.gz OWHBLDUFFFRUGE-WDEREUQCSA-N 1 3 227.352 0.713 40 0 BCABHO CC(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079419342 384144755 /nfs/dbraw/zinc/14/47/55/384144755.db2.gz OWHBLDUFFFRUGE-WDEREUQCSA-N 1 3 227.352 0.713 40 0 BCABHO C[C@H]([NH3+])c1ccc(N2CCNCC2)nc1 ZINC000072225512 385110490 /nfs/dbraw/zinc/11/04/90/385110490.db2.gz AZXFGIPRBMDMME-VIFPVBQESA-N 1 3 206.293 0.511 40 0 BCABHO Cc1nc(N2CCN(C(C)C)CC2)cc(N)[nH+]1 ZINC000129727171 385179877 /nfs/dbraw/zinc/17/98/77/385179877.db2.gz XHXKJVCJXVYMKN-UHFFFAOYSA-N 1 3 235.335 0.898 40 0 BCABHO CN(C)CCn1c(=O)ccc2c1CC[C@@H]([NH3+])C2 ZINC000096260650 387025889 /nfs/dbraw/zinc/02/58/89/387025889.db2.gz XFPAZBPCPKOBPK-LLVKDONJSA-N 1 3 235.331 0.226 40 0 BCABHO CN1CCC([N@@H+]2CCN[C@@H]3CCC[C@@H]32)CC1 ZINC000225717353 388841607 /nfs/dbraw/zinc/84/16/07/388841607.db2.gz XANNMPQJDUHBRQ-OLZOCXBDSA-N 1 3 223.364 0.907 40 0 BCABHO CN1CCC([N@H+]2CCN[C@@H]3CCC[C@@H]32)CC1 ZINC000225717353 388841612 /nfs/dbraw/zinc/84/16/12/388841612.db2.gz XANNMPQJDUHBRQ-OLZOCXBDSA-N 1 3 223.364 0.907 40 0 BCABHO CN1CCC[C@@H](c2nnc(CC[NH3+])o2)C1 ZINC000095828881 173023434 /nfs/dbraw/zinc/02/34/34/173023434.db2.gz YYCRESYKHURAJR-MRVPVSSYSA-N 1 3 210.281 0.380 40 0 BCABHO CN1CCC[C@@H](c2nnc3n2CC[N@@H+](C)CC3)C1 ZINC000072352744 173174073 /nfs/dbraw/zinc/17/40/73/173174073.db2.gz FJMYXAHEWDAZNE-LLVKDONJSA-N 1 3 249.362 0.575 40 0 BCABHO CN1CCC[C@@H](c2nnc3n2CC[N@H+](C)CC3)C1 ZINC000072352744 173174074 /nfs/dbraw/zinc/17/40/74/173174074.db2.gz FJMYXAHEWDAZNE-LLVKDONJSA-N 1 3 249.362 0.575 40 0 BCABHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[NH2+]C2 ZINC000306128977 398199956 /nfs/dbraw/zinc/19/99/56/398199956.db2.gz HQAGKEKPMYEGBO-STQMWFEESA-N 1 3 224.348 0.954 40 0 BCABHO CC(C)[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526602 343325563 /nfs/dbraw/zinc/32/55/63/343325563.db2.gz KHECTEPPROILEL-NSHDSACASA-N 1 3 227.352 0.428 40 0 BCABHO C[N@H+]1CCCC[C@@H]1Cn1cc(CN)nn1 ZINC000409427543 343801114 /nfs/dbraw/zinc/80/11/14/343801114.db2.gz WCBXKXDUGHMFDS-SNVBAGLBSA-N 1 3 209.297 0.221 40 0 BCABHO C[N@H+]1CCCC[C@H]1Cn1cc(CN)nn1 ZINC000409427535 343801124 /nfs/dbraw/zinc/80/11/24/343801124.db2.gz WCBXKXDUGHMFDS-JTQLQIEISA-N 1 3 209.297 0.221 40 0 BCABHO [NH2+]=C(CN1CCN([C@H]2CCSC2)CC1)NO ZINC000405518952 343812073 /nfs/dbraw/zinc/81/20/73/343812073.db2.gz VEBZRFUEOCMWLS-VIFPVBQESA-N 1 3 244.364 0.066 40 0 BCABHO [NH3+]CCCN1CC[C@@H](O)[C@H](CCF)C1 ZINC000409425341 343819355 /nfs/dbraw/zinc/81/93/55/343819355.db2.gz AJCNNHQRYNFYAL-NXEZZACHSA-N 1 3 204.289 0.378 40 0 BCABHO NCCC[N@@H+]1C[C@H](CO)C2(CCCC2)C1 ZINC000409434645 343834118 /nfs/dbraw/zinc/83/41/18/343834118.db2.gz PYONUMUNYDRNDE-LLVKDONJSA-N 1 3 212.337 0.820 40 0 BCABHO NCCC[N@H+]1C[C@H](CO)C2(CCCC2)C1 ZINC000409434645 343834122 /nfs/dbraw/zinc/83/41/22/343834122.db2.gz PYONUMUNYDRNDE-LLVKDONJSA-N 1 3 212.337 0.820 40 0 BCABHO CC1(C)C[N@@H+](C2CCNCC2)C[C@@H]1CO ZINC000409434769 343834887 /nfs/dbraw/zinc/83/48/87/343834887.db2.gz QMTRWNSCRHODAR-SNVBAGLBSA-N 1 3 212.337 0.689 40 0 BCABHO CC1(C)C[N@H+](C2CCNCC2)C[C@@H]1CO ZINC000409434769 343834890 /nfs/dbraw/zinc/83/48/90/343834890.db2.gz QMTRWNSCRHODAR-SNVBAGLBSA-N 1 3 212.337 0.689 40 0 BCABHO CC1(C)CN(C2CC[NH2+]CC2)C[C@@H]1CO ZINC000409434769 343834893 /nfs/dbraw/zinc/83/48/93/343834893.db2.gz QMTRWNSCRHODAR-SNVBAGLBSA-N 1 3 212.337 0.689 40 0 BCABHO CC(C)[C@H]([NH3+])CCN1CCCN(C)CC1 ZINC000096523794 188147875 /nfs/dbraw/zinc/14/78/75/188147875.db2.gz WVWCPSJSOSQZFK-GFCCVEGCSA-N 1 3 213.369 0.997 40 0 BCABHO NC(=[NH2+])c1ccccc1CN1CCC(O)CC1 ZINC000019473634 181196612 /nfs/dbraw/zinc/19/66/12/181196612.db2.gz QYMVDSWWPDYIJO-UHFFFAOYSA-N 1 3 233.315 0.927 40 0 BCABHO CCN(C(=O)CN)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079406922 169636539 /nfs/dbraw/zinc/63/65/39/169636539.db2.gz QXGGMYDCPOVOOW-GHMZBOCLSA-N 1 3 227.352 0.666 40 0 BCABHO CC(C)[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538779 383912242 /nfs/dbraw/zinc/91/22/42/383912242.db2.gz JJNCQGUDLDTSQA-MNOVXSKESA-N 1 3 227.352 0.428 40 0 BCABHO CC(C)[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538779 383912254 /nfs/dbraw/zinc/91/22/54/383912254.db2.gz JJNCQGUDLDTSQA-MNOVXSKESA-N 1 3 227.352 0.428 40 0 BCABHO C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407160 384134971 /nfs/dbraw/zinc/13/49/71/384134971.db2.gz BUTQYGAROIBXNU-GARJFASQSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCN(C)C1 ZINC000079407654 384135208 /nfs/dbraw/zinc/13/52/08/384135208.db2.gz RIGURTVBDABWNJ-NEPJUHHUSA-N 1 3 241.379 0.911 40 0 BCABHO C[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000079407371 384135369 /nfs/dbraw/zinc/13/53/69/384135369.db2.gz LTMWWOFMNUWZPW-ONGXEEELSA-N 1 3 225.336 0.419 40 0 BCABHO C[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000079407371 384135375 /nfs/dbraw/zinc/13/53/75/384135375.db2.gz LTMWWOFMNUWZPW-ONGXEEELSA-N 1 3 225.336 0.419 40 0 BCABHO CCN(CC1CC[NH+](C)CC1)C(=O)CN ZINC000079406907 384135675 /nfs/dbraw/zinc/13/56/75/384135675.db2.gz CUUMOECXNRTCGC-UHFFFAOYSA-N 1 3 213.325 0.135 40 0 BCABHO CN(C(=O)CN)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406841 384135752 /nfs/dbraw/zinc/13/57/52/384135752.db2.gz SINGDZPSPZDUAI-UWVGGRQHSA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)N(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H](C)N ZINC000079407327 384136229 /nfs/dbraw/zinc/13/62/29/384136229.db2.gz ALWHQJQWCWXQJX-NWDGAFQWSA-N 1 3 241.379 0.912 40 0 BCABHO CC(C)N(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H](C)N ZINC000079407327 384136234 /nfs/dbraw/zinc/13/62/34/384136234.db2.gz ALWHQJQWCWXQJX-NWDGAFQWSA-N 1 3 241.379 0.912 40 0 BCABHO CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CCCN(C)C1 ZINC000079407295 384137105 /nfs/dbraw/zinc/13/71/05/384137105.db2.gz ADKSXRAGEQOHEM-WDEREUQCSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)CN ZINC000079419304 384144105 /nfs/dbraw/zinc/14/41/05/384144105.db2.gz NSGQVMJZISJCPI-JTQLQIEISA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN ZINC000079419304 384144109 /nfs/dbraw/zinc/14/41/09/384144109.db2.gz NSGQVMJZISJCPI-JTQLQIEISA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000079419334 384144561 /nfs/dbraw/zinc/14/45/61/384144561.db2.gz SQILJTQTTDIVEO-LLVKDONJSA-N 1 3 227.352 0.524 40 0 BCABHO CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000079419334 384144567 /nfs/dbraw/zinc/14/45/67/384144567.db2.gz SQILJTQTTDIVEO-LLVKDONJSA-N 1 3 227.352 0.524 40 0 BCABHO CC(C)[C@H]([NH3+])CN1CCN(C(C)C)CC1 ZINC000036190244 384181302 /nfs/dbraw/zinc/18/13/02/384181302.db2.gz UHMRRACYLXRHHF-GFCCVEGCSA-N 1 3 213.369 0.996 40 0 BCABHO CC(C)[C@@H]([NH3+])CN1CCN(C(C)C)CC1 ZINC000036190246 384182713 /nfs/dbraw/zinc/18/27/13/384182713.db2.gz UHMRRACYLXRHHF-LBPRGKRZSA-N 1 3 213.369 0.996 40 0 BCABHO Cc1cc([C@@H](C)[NH3+])cnc1N1CCNCC1 ZINC000072222539 385110193 /nfs/dbraw/zinc/11/01/93/385110193.db2.gz MTJBKVKFMOPOHU-SNVBAGLBSA-N 1 3 220.320 0.819 40 0 BCABHO c1cc(N2CCNCC2)ncc1[C@@H]1CCC[NH2+]1 ZINC000072216264 385092222 /nfs/dbraw/zinc/09/22/22/385092222.db2.gz UODUNAZWULACRR-LBPRGKRZSA-N 1 3 232.331 0.916 40 0 BCABHO [NH3+][C@@H]1CCC[C@H]1NCCCN1CCOCC1 ZINC000218870394 386352602 /nfs/dbraw/zinc/35/26/02/386352602.db2.gz CIMOVVGNJOIJEJ-VXGBXAGGSA-N 1 3 227.352 0.178 40 0 BCABHO N[C@@H]1CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000218870394 386352606 /nfs/dbraw/zinc/35/26/06/386352606.db2.gz CIMOVVGNJOIJEJ-VXGBXAGGSA-N 1 3 227.352 0.178 40 0 BCABHO CN(C)CCn1c(=O)ccc2c1CC[C@H]([NH3+])C2 ZINC000096260649 387026344 /nfs/dbraw/zinc/02/63/44/387026344.db2.gz XFPAZBPCPKOBPK-NSHDSACASA-N 1 3 235.331 0.226 40 0 BCABHO CCS(=O)(=O)[C@]1(CN)C[C@H](C[NH3+])C[C@H]1C ZINC000242425583 388720588 /nfs/dbraw/zinc/72/05/88/388720588.db2.gz BPSSMVVYPCRBDD-BBBLOLIVSA-N 1 3 234.365 0.123 40 0 BCABHO CN1CCC[C@@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828886 173022678 /nfs/dbraw/zinc/02/26/78/173022678.db2.gz RCFIMXTVQPKQJE-SECBINFHSA-N 1 3 224.308 0.770 40 0 BCABHO C[N@@H+]1CCC[C@H](CN(C(=O)CN)C2CC2)C1 ZINC000079407059 173038121 /nfs/dbraw/zinc/03/81/21/173038121.db2.gz HZXURALNIVEIAZ-JTQLQIEISA-N 1 3 225.336 0.278 40 0 BCABHO C[N@H+]1CCC[C@H](CN(C(=O)CN)C2CC2)C1 ZINC000079407059 173038123 /nfs/dbraw/zinc/03/81/23/173038123.db2.gz HZXURALNIVEIAZ-JTQLQIEISA-N 1 3 225.336 0.278 40 0 BCABHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CO)c1 ZINC000017040297 534961987 /nfs/dbraw/zinc/96/19/87/534961987.db2.gz XNKSABHLNKPJGF-UHFFFAOYSA-N 1 3 247.302 0.364 40 0 BCABHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[NH2+]C2 ZINC000306128976 398199979 /nfs/dbraw/zinc/19/99/79/398199979.db2.gz HQAGKEKPMYEGBO-OLZOCXBDSA-N 1 3 224.348 0.954 40 0 BCABHO C[NH2+]Cc1cnc(N2CCNCC2)cc1C ZINC000072223588 259321496 /nfs/dbraw/zinc/32/14/96/259321496.db2.gz UKKBZGGYVUZTAE-UHFFFAOYSA-N 1 3 220.320 0.519 40 0 BCABHO [NH3+][C@@H]1CCCC[C@H]1NCCN1CCOCC1 ZINC000218852790 398328954 /nfs/dbraw/zinc/32/89/54/398328954.db2.gz MUMDWSBDNNTCKK-VXGBXAGGSA-N 1 3 227.352 0.178 40 0 BCABHO COC(=O)[C@H](C)CNCCC[NH+](C)C ZINC000035133546 343286400 /nfs/dbraw/zinc/28/64/00/343286400.db2.gz UHZBRCRZQLOYJA-SECBINFHSA-N 1 3 202.298 0.337 40 0 BCABHO [NH3+]CCC(=O)N1CCN(c2ccncc2)CC1 ZINC000197487051 343792155 /nfs/dbraw/zinc/79/21/55/343792155.db2.gz CLMHRKPCIUHZPD-UHFFFAOYSA-N 1 3 234.303 0.079 40 0 BCABHO CO[C@H]1CCO[C@]2(CCCN(CCC[NH3+])C2)C1 ZINC000409426975 343799675 /nfs/dbraw/zinc/79/96/75/343799675.db2.gz DKWDUVJHNCYZOB-QWHCGFSZSA-N 1 3 242.363 0.995 40 0 BCABHO [NH2+]=C(CN1CCN([C@@H]2CCSC2)CC1)NO ZINC000405518948 343812359 /nfs/dbraw/zinc/81/23/59/343812359.db2.gz VEBZRFUEOCMWLS-SECBINFHSA-N 1 3 244.364 0.066 40 0 BCABHO [NH3+]CCCN1CC[C@H](O)[C@H](CCF)C1 ZINC000409425348 343819272 /nfs/dbraw/zinc/81/92/72/343819272.db2.gz AJCNNHQRYNFYAL-ZJUUUORDSA-N 1 3 204.289 0.378 40 0 BCABHO [NH3+]CCCN1CC[C@H](O)[C@@H](CC2CC2)C1 ZINC000409429428 343805637 /nfs/dbraw/zinc/80/56/37/343805637.db2.gz HKUSBGAKDTYWRT-RYUDHWBXSA-N 1 3 212.337 0.818 40 0 BCABHO CCC[C@@H]1C[N@H+](CCCN)CC[C@@H]1O ZINC000409435089 343836360 /nfs/dbraw/zinc/83/63/60/343836360.db2.gz SHABCNHOKJBKPS-MNOVXSKESA-N 1 3 200.326 0.818 40 0 BCABHO CCC[C@@H]1C[N@@H+](CCCN)CC[C@@H]1O ZINC000409435089 343836362 /nfs/dbraw/zinc/83/63/62/343836362.db2.gz SHABCNHOKJBKPS-MNOVXSKESA-N 1 3 200.326 0.818 40 0 BCABHO OC[C@@H]1C[N@@H+](C2CCNCC2)CC12CCC2 ZINC000409436368 343838771 /nfs/dbraw/zinc/83/87/71/343838771.db2.gz ZNUGAHIUKRSKPW-NSHDSACASA-N 1 3 224.348 0.833 40 0 BCABHO OC[C@@H]1C[N@H+](C2CCNCC2)CC12CCC2 ZINC000409436368 343838773 /nfs/dbraw/zinc/83/87/73/343838773.db2.gz ZNUGAHIUKRSKPW-NSHDSACASA-N 1 3 224.348 0.833 40 0 BCABHO OC[C@@H]1CN(C2CC[NH2+]CC2)CC12CCC2 ZINC000409436368 343838777 /nfs/dbraw/zinc/83/87/77/343838777.db2.gz ZNUGAHIUKRSKPW-NSHDSACASA-N 1 3 224.348 0.833 40 0 BCABHO CC[C@@H](C)[C@H]([NH3+])CN1CCCN(C)CC1 ZINC000020217794 349253524 /nfs/dbraw/zinc/25/35/24/349253524.db2.gz OIOOWQXSOJKXCN-VXGBXAGGSA-N 1 3 213.369 0.997 40 0 BCABHO CC[NH+](CC)CCN1CCC[C@@H](N)C1=O ZINC000070061952 259523244 /nfs/dbraw/zinc/52/32/44/259523244.db2.gz DPUNOWWDWPEXAS-SNVBAGLBSA-N 1 3 213.325 0.278 40 0 BCABHO c1cc(CN2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ccn1 ZINC000096249705 183343584 /nfs/dbraw/zinc/34/35/84/183343584.db2.gz DJDVDQKHCYQPLY-ZIAGYGMSSA-N 1 3 247.342 0.892 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826078 383892496 /nfs/dbraw/zinc/89/24/96/383892496.db2.gz QOLZBFAQLHOCHO-LBPRGKRZSA-N 1 3 241.379 0.770 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC000079419567 384142264 /nfs/dbraw/zinc/14/22/64/384142264.db2.gz YPXCUZPYUJMYDU-NEPJUHHUSA-N 1 3 241.379 0.911 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC000079419567 384142270 /nfs/dbraw/zinc/14/22/70/384142270.db2.gz YPXCUZPYUJMYDU-NEPJUHHUSA-N 1 3 241.379 0.911 40 0 BCABHO CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000079419329 384143531 /nfs/dbraw/zinc/14/35/31/384143531.db2.gz SQILJTQTTDIVEO-NSHDSACASA-N 1 3 227.352 0.524 40 0 BCABHO CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000079419329 384143533 /nfs/dbraw/zinc/14/35/33/384143533.db2.gz SQILJTQTTDIVEO-NSHDSACASA-N 1 3 227.352 0.524 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](C)C2CC2)CC1 ZINC000100177618 384283171 /nfs/dbraw/zinc/28/31/71/384283171.db2.gz ZEKNMOYSTCUUIH-GARJFASQSA-N 1 3 239.363 0.855 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](C)C2CC2)CC1 ZINC000100177618 384283177 /nfs/dbraw/zinc/28/31/77/384283177.db2.gz ZEKNMOYSTCUUIH-GARJFASQSA-N 1 3 239.363 0.855 40 0 BCABHO CN(C)CCNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082303072 384663698 /nfs/dbraw/zinc/66/36/98/384663698.db2.gz BDMYDZPNBXSDCW-SNVBAGLBSA-N 1 3 213.325 0.006 40 0 BCABHO CN(C)CCNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082303072 384663702 /nfs/dbraw/zinc/66/37/02/384663702.db2.gz BDMYDZPNBXSDCW-SNVBAGLBSA-N 1 3 213.325 0.006 40 0 BCABHO c1cnc(N2CCNCC2)c([C@H]2CCC[NH2+]2)c1 ZINC000072216325 385095103 /nfs/dbraw/zinc/09/51/03/385095103.db2.gz CKKABBROOPQCAA-GFCCVEGCSA-N 1 3 232.331 0.916 40 0 BCABHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H]1CO ZINC000096523457 385266296 /nfs/dbraw/zinc/26/62/96/385266296.db2.gz KMGUHEOVXWBQHK-WDEREUQCSA-N 1 3 200.326 0.817 40 0 BCABHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H]1CO ZINC000096523457 385266305 /nfs/dbraw/zinc/26/63/05/385266305.db2.gz KMGUHEOVXWBQHK-WDEREUQCSA-N 1 3 200.326 0.817 40 0 BCABHO Cc1cc(CN2CCC(C[NH3+])CC2)n[nH]1 ZINC000096523643 385269393 /nfs/dbraw/zinc/26/93/93/385269393.db2.gz BBYORTUGIRCDGV-UHFFFAOYSA-N 1 3 208.309 0.889 40 0 BCABHO C[C@H]([NH3+])CN1CCN(C2CCN(C)CC2)CC1 ZINC000096523918 385272777 /nfs/dbraw/zinc/27/27/77/385272777.db2.gz QUBCEUKYJHEVMY-LBPRGKRZSA-N 1 3 240.395 0.045 40 0 BCABHO [NH3+]CCCN1CCN([C@@H]2CCSC2)CC1 ZINC000409428977 385328719 /nfs/dbraw/zinc/32/87/19/385328719.db2.gz NKSUBCUVAPVPOM-LLVKDONJSA-N 1 3 229.393 0.458 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644903 386524907 /nfs/dbraw/zinc/52/49/07/386524907.db2.gz FQNGKBJHXSSVAZ-QWRGUYRKSA-N 1 3 227.352 0.522 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644902 386526881 /nfs/dbraw/zinc/52/68/81/386526881.db2.gz FQNGKBJHXSSVAZ-MNOVXSKESA-N 1 3 227.352 0.522 40 0 BCABHO [NH3+][C@H]1CCCC[C@H]1NCCN1CCOCC1 ZINC000218852863 388393209 /nfs/dbraw/zinc/39/32/09/388393209.db2.gz MUMDWSBDNNTCKK-NWDGAFQWSA-N 1 3 227.352 0.178 40 0 BCABHO CN1CCC([NH2+][C@H]2CCCC[C@H]2N)CC1 ZINC000225720472 388842571 /nfs/dbraw/zinc/84/25/71/388842571.db2.gz RCWJXZXIEZZDJZ-NEPJUHHUSA-N 1 3 211.353 0.940 40 0 BCABHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCN(C)C ZINC000087121980 135106932 /nfs/dbraw/zinc/10/69/32/135106932.db2.gz MHVQBDFSJRWPGK-ZJUUUORDSA-N 1 3 213.325 0.052 40 0 BCABHO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1C ZINC000044564419 343326355 /nfs/dbraw/zinc/32/63/55/343326355.db2.gz UGJNENWJXWXPDL-MNOVXSKESA-N 1 3 227.352 0.570 40 0 BCABHO C[C@H](N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000037826925 343783183 /nfs/dbraw/zinc/78/31/83/343783183.db2.gz TWMCOKRFHBBPQX-NSHDSACASA-N 1 3 239.363 0.811 40 0 BCABHO NCc1cn(CCC2CC[NH2+]CC2)nn1 ZINC000409426845 343799099 /nfs/dbraw/zinc/79/90/99/343799099.db2.gz SKSIKANACSLLNG-UHFFFAOYSA-N 1 3 209.297 0.127 40 0 BCABHO COC[C@@H]1C[N@@H+](C2CCNCC2)C[C@@H]1C ZINC000409425695 343820344 /nfs/dbraw/zinc/82/03/44/343820344.db2.gz GNGIHPOXQZXAHM-QWRGUYRKSA-N 1 3 212.337 0.953 40 0 BCABHO COC[C@@H]1C[N@H+](C2CCNCC2)C[C@@H]1C ZINC000409425695 343820346 /nfs/dbraw/zinc/82/03/46/343820346.db2.gz GNGIHPOXQZXAHM-QWRGUYRKSA-N 1 3 212.337 0.953 40 0 BCABHO NCCC[N@@H+]1C[C@@H]2CCCC[C@]2(CO)C1 ZINC000409426370 343822335 /nfs/dbraw/zinc/82/23/35/343822335.db2.gz CDUFPKPAHHGJGX-NWDGAFQWSA-N 1 3 212.337 0.820 40 0 BCABHO NCCC[N@H+]1C[C@@H]2CCCC[C@]2(CO)C1 ZINC000409426370 343822337 /nfs/dbraw/zinc/82/23/37/343822337.db2.gz CDUFPKPAHHGJGX-NWDGAFQWSA-N 1 3 212.337 0.820 40 0 BCABHO CCOC[C@H]1C[N@H+](CCCN)C[C@@H]1C ZINC000409432636 343826882 /nfs/dbraw/zinc/82/68/82/343826882.db2.gz LMFCFPZOLHQXRO-WDEREUQCSA-N 1 3 200.326 0.940 40 0 BCABHO CCOC[C@H]1C[N@@H+](CCCN)C[C@@H]1C ZINC000409432636 343826884 /nfs/dbraw/zinc/82/68/84/343826884.db2.gz LMFCFPZOLHQXRO-WDEREUQCSA-N 1 3 200.326 0.940 40 0 BCABHO OC[C@@]12CCC[C@H]1C[N@@H+](C1CCNCC1)C2 ZINC000409430037 343806979 /nfs/dbraw/zinc/80/69/79/343806979.db2.gz IDZGLLKNRKPLNX-AAEUAGOBSA-N 1 3 224.348 0.833 40 0 BCABHO OC[C@@]12CCC[C@H]1C[N@H+](C1CCNCC1)C2 ZINC000409430037 343806982 /nfs/dbraw/zinc/80/69/82/343806982.db2.gz IDZGLLKNRKPLNX-AAEUAGOBSA-N 1 3 224.348 0.833 40 0 BCABHO COC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000026896610 344078011 /nfs/dbraw/zinc/07/80/11/344078011.db2.gz KVPXVSDIYOYVKS-SNVBAGLBSA-N 1 3 226.320 0.623 40 0 BCABHO COC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000026896610 344078013 /nfs/dbraw/zinc/07/80/13/344078013.db2.gz KVPXVSDIYOYVKS-SNVBAGLBSA-N 1 3 226.320 0.623 40 0 BCABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC000100202361 191073061 /nfs/dbraw/zinc/07/30/61/191073061.db2.gz RJCXBOCPEFGANO-SRVKXCTJSA-N 1 3 241.379 0.959 40 0 BCABHO N=C(CN1CCC([NH+]2CCCC2)CC1)NO ZINC000384400759 358334753 /nfs/dbraw/zinc/33/47/53/358334753.db2.gz PKDOWCJFOLYZBR-UHFFFAOYSA-N 1 3 226.324 0.503 40 0 BCABHO NCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404066 181355787 /nfs/dbraw/zinc/35/57/87/181355787.db2.gz TWDBPFSITKTFCX-ZDUSSCGKSA-N 1 3 247.342 0.726 40 0 BCABHO NCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404066 181355789 /nfs/dbraw/zinc/35/57/89/181355789.db2.gz TWDBPFSITKTFCX-ZDUSSCGKSA-N 1 3 247.342 0.726 40 0 BCABHO [NH3+]CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000035018166 181355852 /nfs/dbraw/zinc/35/58/52/181355852.db2.gz YPWKQQRQPOSWHR-LBPRGKRZSA-N 1 3 233.315 0.336 40 0 BCABHO CN(C[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000020073275 371227013 /nfs/dbraw/zinc/22/70/13/371227013.db2.gz JLFPYNBENDEXLN-NSHDSACASA-N 1 3 211.353 0.764 40 0 BCABHO CCCN1CCN(C[C@@H]([NH3+])C(C)C)CC1 ZINC000020073775 169202552 /nfs/dbraw/zinc/20/25/52/169202552.db2.gz HEGJRCBHBBBYSO-GFCCVEGCSA-N 1 3 213.369 0.997 40 0 BCABHO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1C ZINC000044564418 383918334 /nfs/dbraw/zinc/91/83/34/383918334.db2.gz UGJNENWJXWXPDL-QWRGUYRKSA-N 1 3 227.352 0.570 40 0 BCABHO CC(C)N(C[C@@H]1CC[N@H+](C)C1)C(=O)CN ZINC000079406944 384135424 /nfs/dbraw/zinc/13/54/24/384135424.db2.gz VZLPWAURGYKFNC-SNVBAGLBSA-N 1 3 213.325 0.134 40 0 BCABHO CC(C)N(C[C@@H]1CC[N@@H+](C)C1)C(=O)CN ZINC000079406944 384135430 /nfs/dbraw/zinc/13/54/30/384135430.db2.gz VZLPWAURGYKFNC-SNVBAGLBSA-N 1 3 213.325 0.134 40 0 BCABHO CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCN(C)C1 ZINC000079407553 384135981 /nfs/dbraw/zinc/13/59/81/384135981.db2.gz VDXPIBBHZUJSPU-MNOVXSKESA-N 1 3 227.352 0.522 40 0 BCABHO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H](C)N ZINC000079407210 384136631 /nfs/dbraw/zinc/13/66/31/384136631.db2.gz OYKGTFMXHDQVLW-UWVGGRQHSA-N 1 3 213.325 0.134 40 0 BCABHO CCN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H](C)N ZINC000079407210 384136635 /nfs/dbraw/zinc/13/66/35/384136635.db2.gz OYKGTFMXHDQVLW-UWVGGRQHSA-N 1 3 213.325 0.134 40 0 BCABHO C[N@H+](CC1CCN(C(=O)CN)CC1)C1CC1 ZINC000079430292 384146731 /nfs/dbraw/zinc/14/67/31/384146731.db2.gz WRKPOCCTKRESMY-UHFFFAOYSA-N 1 3 225.336 0.278 40 0 BCABHO C[N@@H+](CC1CCN(C(=O)CN)CC1)C1CC1 ZINC000079430292 384146732 /nfs/dbraw/zinc/14/67/32/384146732.db2.gz WRKPOCCTKRESMY-UHFFFAOYSA-N 1 3 225.336 0.278 40 0 BCABHO C[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC000079419472 384142288 /nfs/dbraw/zinc/14/22/88/384142288.db2.gz NAEFKELBJLUQPP-WCBMZHEXSA-N 1 3 211.309 0.029 40 0 BCABHO C[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC000079419472 384142291 /nfs/dbraw/zinc/14/22/91/384142291.db2.gz NAEFKELBJLUQPP-WCBMZHEXSA-N 1 3 211.309 0.029 40 0 BCABHO C[C@H](N)C(=O)N1CCC([N@H+](C)C2CC2)CC1 ZINC000079419497 384145178 /nfs/dbraw/zinc/14/51/78/384145178.db2.gz WFEUIYODYUCKQK-VIFPVBQESA-N 1 3 225.336 0.419 40 0 BCABHO C[C@H](N)C(=O)N1CCC([N@@H+](C)C2CC2)CC1 ZINC000079419497 384145184 /nfs/dbraw/zinc/14/51/84/384145184.db2.gz WFEUIYODYUCKQK-VIFPVBQESA-N 1 3 225.336 0.419 40 0 BCABHO CN1CCC(CC(=O)NCCC[NH+](C)C)CC1 ZINC000074920904 384312160 /nfs/dbraw/zinc/31/21/60/384312160.db2.gz VMPDNVLXPQJHPR-UHFFFAOYSA-N 1 3 241.379 0.786 40 0 BCABHO CN(C(=O)CN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178252 384283650 /nfs/dbraw/zinc/28/36/50/384283650.db2.gz OLLUJJASVWGFSQ-AOOOYVTPSA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000079419538 384496302 /nfs/dbraw/zinc/49/63/02/384496302.db2.gz JRUABEXCBREGFR-MNOVXSKESA-N 1 3 227.352 0.380 40 0 BCABHO OC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000086432897 384775457 /nfs/dbraw/zinc/77/54/57/384775457.db2.gz BQJLGWDOIHSBNJ-FOSCPWQOSA-N 1 3 210.321 0.726 40 0 BCABHO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000086432897 384775460 /nfs/dbraw/zinc/77/54/60/384775460.db2.gz BQJLGWDOIHSBNJ-FOSCPWQOSA-N 1 3 210.321 0.726 40 0 BCABHO NCc1cn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000095096506 385263140 /nfs/dbraw/zinc/26/31/40/385263140.db2.gz LPMWVUNMLOQRJM-JWHQNHQBSA-N 1 3 207.281 0.192 40 0 BCABHO C[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063122319 385596500 /nfs/dbraw/zinc/59/65/00/385596500.db2.gz NZBRGFMIZTYXAK-VIFPVBQESA-N 1 3 213.325 0.134 40 0 BCABHO CC(C)C[C@@H]([NH3+])CN1CCCN(C)CC1 ZINC000020217786 388591093 /nfs/dbraw/zinc/59/10/93/388591093.db2.gz NKNQMZOSROMBJG-GFCCVEGCSA-N 1 3 213.369 0.997 40 0 BCABHO CN1CCCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000242425555 388720898 /nfs/dbraw/zinc/72/08/98/388720898.db2.gz BOUWIZCGCNHTQB-GFCCVEGCSA-N 1 3 211.353 0.766 40 0 BCABHO CCN(C[C@H]1CCC[N@H+](C)C1)C(=O)CN ZINC000079406904 169896608 /nfs/dbraw/zinc/89/66/08/169896608.db2.gz LCPUODCYPCBBBH-JTQLQIEISA-N 1 3 213.325 0.135 40 0 BCABHO CCN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CN ZINC000079406904 169896610 /nfs/dbraw/zinc/89/66/10/169896610.db2.gz LCPUODCYPCBBBH-JTQLQIEISA-N 1 3 213.325 0.135 40 0 BCABHO CN1CCC2=NNC3(CC[NH+](C)CC3)[C@@H]2C1 ZINC000091244424 173003102 /nfs/dbraw/zinc/00/31/02/173003102.db2.gz LMWHQYILCVJMCX-SNVBAGLBSA-N 1 3 222.336 0.362 40 0 BCABHO C[N@H+]1CCc2nnc([C@@H]3CCCN3)n2CC1 ZINC000257344218 173173686 /nfs/dbraw/zinc/17/36/86/173173686.db2.gz ZWEPIAGNGYESPC-VIFPVBQESA-N 1 3 221.308 0.191 40 0 BCABHO C[N@@H+]1CCc2nnc([C@@H]3CCCN3)n2CC1 ZINC000257344218 173173688 /nfs/dbraw/zinc/17/36/88/173173688.db2.gz ZWEPIAGNGYESPC-VIFPVBQESA-N 1 3 221.308 0.191 40 0 BCABHO COCCN(C[C@@H](C)[NH3+])C1CCN(C)CC1 ZINC000096523897 174297238 /nfs/dbraw/zinc/29/72/38/174297238.db2.gz NOUPRVXBBGHCPI-LLVKDONJSA-N 1 3 229.368 0.376 40 0 BCABHO Cc1cc(C[NH3+])cnc1N1CCNCC1 ZINC000072222529 259320851 /nfs/dbraw/zinc/32/08/51/259320851.db2.gz YLUQQFVZVXECPE-UHFFFAOYSA-N 1 3 206.293 0.258 40 0 BCABHO CN1CC[C@H](O)[C@@H](C[C@@H]2CCCC[NH2+]2)C1 ZINC000242522414 259326009 /nfs/dbraw/zinc/32/60/09/259326009.db2.gz ISBDAGONLADELG-SRVKXCTJSA-N 1 3 212.337 0.831 40 0 BCABHO CSCC[C@H]([NH3+])CN1CCCN(C)CC1 ZINC000110764256 398300768 /nfs/dbraw/zinc/30/07/68/398300768.db2.gz RZYMZNXQGMTMKD-NSHDSACASA-N 1 3 231.409 0.704 40 0 BCABHO CC(C)[N@H+](C)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000101676987 398344784 /nfs/dbraw/zinc/34/47/84/398344784.db2.gz OWHBLDUFFFRUGE-GHMZBOCLSA-N 1 3 227.352 0.713 40 0 BCABHO CC(C)[N@@H+](C)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000101676987 398344785 /nfs/dbraw/zinc/34/47/85/398344785.db2.gz OWHBLDUFFFRUGE-GHMZBOCLSA-N 1 3 227.352 0.713 40 0 BCABHO C[C@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826092 343357138 /nfs/dbraw/zinc/35/71/38/343357138.db2.gz RPEBLPHUSGVHQO-VIFPVBQESA-N 1 3 213.325 0.134 40 0 BCABHO CN(C(=O)[C@@H]1CCCC[NH2+]1)C1CCN(C)CC1 ZINC000019473247 343773688 /nfs/dbraw/zinc/77/36/88/343773688.db2.gz VWLJXHIBUDWHQI-LBPRGKRZSA-N 1 3 239.363 0.681 40 0 BCABHO Cc1nc(N)cc(N(C)C2CC[NH+](C)CC2)n1 ZINC000127814017 343787689 /nfs/dbraw/zinc/78/76/89/343787689.db2.gz AKDOVMGSKMYNLJ-UHFFFAOYSA-N 1 3 235.335 0.898 40 0 BCABHO CO[C@H]1CCO[C@@]2(CCCN(CCC[NH3+])C2)C1 ZINC000409426976 343799733 /nfs/dbraw/zinc/79/97/33/343799733.db2.gz DKWDUVJHNCYZOB-STQMWFEESA-N 1 3 242.363 0.995 40 0 BCABHO C[C@H](O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000409425150 343818159 /nfs/dbraw/zinc/81/81/59/343818159.db2.gz FFFIXTAJALOUFL-QWRGUYRKSA-N 1 3 212.337 0.831 40 0 BCABHO C[C@H](O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000409425150 343818160 /nfs/dbraw/zinc/81/81/60/343818160.db2.gz FFFIXTAJALOUFL-QWRGUYRKSA-N 1 3 212.337 0.831 40 0 BCABHO C[C@H](O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000409425150 343818161 /nfs/dbraw/zinc/81/81/61/343818161.db2.gz FFFIXTAJALOUFL-QWRGUYRKSA-N 1 3 212.337 0.831 40 0 BCABHO COCC[N@H+](C1CCNCC1)C1CCOCC1 ZINC000409429679 343806079 /nfs/dbraw/zinc/80/60/79/343806079.db2.gz HVNMDUCMQVFFTP-UHFFFAOYSA-N 1 3 242.363 0.866 40 0 BCABHO COCC[N@@H+](C1CCNCC1)C1CCOCC1 ZINC000409429679 343806081 /nfs/dbraw/zinc/80/60/81/343806081.db2.gz HVNMDUCMQVFFTP-UHFFFAOYSA-N 1 3 242.363 0.866 40 0 BCABHO COCCN(C1CC[NH2+]CC1)C1CCOCC1 ZINC000409429679 343806082 /nfs/dbraw/zinc/80/60/82/343806082.db2.gz HVNMDUCMQVFFTP-UHFFFAOYSA-N 1 3 242.363 0.866 40 0 BCABHO OC[C@]12CCC[C@@H]1C[N@@H+](C1CCNCC1)C2 ZINC000409430040 343806997 /nfs/dbraw/zinc/80/69/97/343806997.db2.gz IDZGLLKNRKPLNX-DGCLKSJQSA-N 1 3 224.348 0.833 40 0 BCABHO OC[C@]12CCC[C@@H]1C[N@H+](C1CCNCC1)C2 ZINC000409430040 343806999 /nfs/dbraw/zinc/80/69/99/343806999.db2.gz IDZGLLKNRKPLNX-DGCLKSJQSA-N 1 3 224.348 0.833 40 0 BCABHO C[C@H](N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000409434422 343831613 /nfs/dbraw/zinc/83/16/13/343831613.db2.gz PCZGEMXPGOXRQQ-JTQLQIEISA-N 1 3 234.303 0.077 40 0 BCABHO C[C@H](O)[C@H]1CCCC[N@@H+]1C1CCNCC1 ZINC000409430558 350476394 /nfs/dbraw/zinc/47/63/94/350476394.db2.gz QRNKRPGQSFSCAZ-CMPLNLGQSA-N 1 3 212.337 0.974 40 0 BCABHO C[C@H](O)[C@H]1CCCC[N@H+]1C1CCNCC1 ZINC000409430558 350476398 /nfs/dbraw/zinc/47/63/98/350476398.db2.gz QRNKRPGQSFSCAZ-CMPLNLGQSA-N 1 3 212.337 0.974 40 0 BCABHO C[C@H](O)[C@H]1CCCCN1C1CC[NH2+]CC1 ZINC000409430558 350476401 /nfs/dbraw/zinc/47/64/01/350476401.db2.gz QRNKRPGQSFSCAZ-CMPLNLGQSA-N 1 3 212.337 0.974 40 0 BCABHO CC(C)[N@H+](C)CC1CCN(C(=O)CN)CC1 ZINC000037826014 188114443 /nfs/dbraw/zinc/11/44/43/188114443.db2.gz RRAQFUBUEULZDO-UHFFFAOYSA-N 1 3 227.352 0.524 40 0 BCABHO CC(C)[N@@H+](C)CC1CCN(C(=O)CN)CC1 ZINC000037826014 188114445 /nfs/dbraw/zinc/11/44/45/188114445.db2.gz RRAQFUBUEULZDO-UHFFFAOYSA-N 1 3 227.352 0.524 40 0 BCABHO NCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404061 181352445 /nfs/dbraw/zinc/35/24/45/181352445.db2.gz WNNQTIVNLONIOQ-ZDUSSCGKSA-N 1 3 247.342 0.583 40 0 BCABHO NCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404061 181352448 /nfs/dbraw/zinc/35/24/48/181352448.db2.gz WNNQTIVNLONIOQ-ZDUSSCGKSA-N 1 3 247.342 0.583 40 0 BCABHO CN(C)C[C@@H]1CC(=O)[C@H](C[NH+](C)C)CC1=O ZINC000001717768 383928441 /nfs/dbraw/zinc/92/84/41/383928441.db2.gz QINBNIQHVSHFQT-UWVGGRQHSA-N 1 3 226.320 0.274 40 0 BCABHO CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000070822469 383965426 /nfs/dbraw/zinc/96/54/26/383965426.db2.gz AWLKTGXMEDABLA-MNOVXSKESA-N 1 3 227.352 0.380 40 0 BCABHO CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070822469 383965435 /nfs/dbraw/zinc/96/54/35/383965435.db2.gz AWLKTGXMEDABLA-MNOVXSKESA-N 1 3 227.352 0.380 40 0 BCABHO C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCN(C)C1 ZINC000079407392 384138045 /nfs/dbraw/zinc/13/80/45/384138045.db2.gz HNGGYBXVWVGZEZ-ONGXEEELSA-N 1 3 225.336 0.419 40 0 BCABHO CC(C)N(C(=O)CN)C1CC[NH+](C)CC1 ZINC000079406963 384135149 /nfs/dbraw/zinc/13/51/49/384135149.db2.gz GEKLNKCNCHNAEV-UHFFFAOYSA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCN(C)C1 ZINC000079407712 384138066 /nfs/dbraw/zinc/13/80/66/384138066.db2.gz RXWBCVMMDVDYHM-RYUDHWBXSA-N 1 3 239.363 0.665 40 0 BCABHO CN(C(=O)CN)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079406845 384137257 /nfs/dbraw/zinc/13/72/57/384137257.db2.gz SINGDZPSPZDUAI-NXEZZACHSA-N 1 3 213.325 0.276 40 0 BCABHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000079430285 384146466 /nfs/dbraw/zinc/14/64/66/384146466.db2.gz UWTSFSVFUHAGDV-SNVBAGLBSA-N 1 3 225.336 0.278 40 0 BCABHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000079430285 384146469 /nfs/dbraw/zinc/14/64/69/384146469.db2.gz UWTSFSVFUHAGDV-SNVBAGLBSA-N 1 3 225.336 0.278 40 0 BCABHO C[N@@H+]1CCC[C@@H](CN(CCO)C2CC2)C1 ZINC000079423123 384146629 /nfs/dbraw/zinc/14/66/29/384146629.db2.gz WCDYQQFVBHDSCG-LLVKDONJSA-N 1 3 212.337 0.785 40 0 BCABHO C[N@H+]1CCC[C@@H](CN(CCO)C2CC2)C1 ZINC000079423123 384146632 /nfs/dbraw/zinc/14/66/32/384146632.db2.gz WCDYQQFVBHDSCG-LLVKDONJSA-N 1 3 212.337 0.785 40 0 BCABHO C[N@H+](C1CC1)C1CCN(C(=O)CN)CC1 ZINC000079424917 384146793 /nfs/dbraw/zinc/14/67/93/384146793.db2.gz MFQHRYMVJCKSMU-UHFFFAOYSA-N 1 3 211.309 0.030 40 0 BCABHO C[N@@H+](C1CC1)C1CCN(C(=O)CN)CC1 ZINC000079424917 384146794 /nfs/dbraw/zinc/14/67/94/384146794.db2.gz MFQHRYMVJCKSMU-UHFFFAOYSA-N 1 3 211.309 0.030 40 0 BCABHO C[N@H+](C1CC1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079424915 384147080 /nfs/dbraw/zinc/14/70/80/384147080.db2.gz ZPWYMGSPVKIPII-JTQLQIEISA-N 1 3 211.309 0.030 40 0 BCABHO C[N@@H+](C1CC1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079424915 384147081 /nfs/dbraw/zinc/14/70/81/384147081.db2.gz ZPWYMGSPVKIPII-JTQLQIEISA-N 1 3 211.309 0.030 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@@H](C[N@H+](C)C2CC2)C1 ZINC000079419519 384142732 /nfs/dbraw/zinc/14/27/32/384142732.db2.gz JDSDHTLGADSAJV-QWRGUYRKSA-N 1 3 239.363 0.666 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+](C)C2CC2)C1 ZINC000079419519 384142738 /nfs/dbraw/zinc/14/27/38/384142738.db2.gz JDSDHTLGADSAJV-QWRGUYRKSA-N 1 3 239.363 0.666 40 0 BCABHO CC(C)[N@H+](C)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000079419437 384143512 /nfs/dbraw/zinc/14/35/12/384143512.db2.gz OAIFAQNNYBJBII-JTQLQIEISA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)[N@@H+](C)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000079419437 384143520 /nfs/dbraw/zinc/14/35/20/384143520.db2.gz OAIFAQNNYBJBII-JTQLQIEISA-N 1 3 227.352 0.665 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@@H]1C[N@H+](C)C1CC1 ZINC000079419477 384144346 /nfs/dbraw/zinc/14/43/46/384144346.db2.gz VROROZNMFSWNNI-GXSJLCMTSA-N 1 3 225.336 0.419 40 0 BCABHO C[C@H](N)C(=O)N1CCC[C@@H]1C[N@@H+](C)C1CC1 ZINC000079419477 384144348 /nfs/dbraw/zinc/14/43/48/384144348.db2.gz VROROZNMFSWNNI-GXSJLCMTSA-N 1 3 225.336 0.419 40 0 BCABHO CC(C)[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079419429 384144718 /nfs/dbraw/zinc/14/47/18/384144718.db2.gz LKGRNPNOGXRISI-QWRGUYRKSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079419429 384144726 /nfs/dbraw/zinc/14/47/26/384144726.db2.gz LKGRNPNOGXRISI-QWRGUYRKSA-N 1 3 227.352 0.665 40 0 BCABHO CC(C)[N@H+](C)[C@H]1CCCN(C(=O)CN)C1 ZINC000079419318 384145144 /nfs/dbraw/zinc/14/51/44/384145144.db2.gz KDGSTDXFAATHGU-JTQLQIEISA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)CN)C1 ZINC000079419318 384145150 /nfs/dbraw/zinc/14/51/50/384145150.db2.gz KDGSTDXFAATHGU-JTQLQIEISA-N 1 3 213.325 0.276 40 0 BCABHO CN1CCC(C(=O)NCCC[NH+](C)C)CC1 ZINC000074707304 384301161 /nfs/dbraw/zinc/30/11/61/384301161.db2.gz RPBPEMNUKIQCTE-UHFFFAOYSA-N 1 3 227.352 0.396 40 0 BCABHO C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCN(C)C1 ZINC000079407364 384492582 /nfs/dbraw/zinc/49/25/82/384492582.db2.gz SXNOEKHZFPPOTM-WCBMZHEXSA-N 1 3 211.309 0.029 40 0 BCABHO Cc1cc([C@H](C)[NH3+])cnc1N1CCNCC1 ZINC000072222540 385110574 /nfs/dbraw/zinc/11/05/74/385110574.db2.gz MTJBKVKFMOPOHU-JTQLQIEISA-N 1 3 220.320 0.819 40 0 BCABHO CC(C)[C@@H]([NH3+])CCN1CCCN(C)CC1 ZINC000096523795 385268691 /nfs/dbraw/zinc/26/86/91/385268691.db2.gz WVWCPSJSOSQZFK-LBPRGKRZSA-N 1 3 213.369 0.997 40 0 BCABHO CC1CC[NH+](C[C@H](O)CNC2CC2)CC1 ZINC000036950324 385592309 /nfs/dbraw/zinc/59/23/09/385592309.db2.gz BHSQSJCFPHBYNB-GFCCVEGCSA-N 1 3 212.337 0.831 40 0 BCABHO [NH3+][C@H]1CCC[C@@H]1NCCCN1CCOCC1 ZINC000218870340 385625512 /nfs/dbraw/zinc/62/55/12/385625512.db2.gz CIMOVVGNJOIJEJ-RYUDHWBXSA-N 1 3 227.352 0.178 40 0 BCABHO N[C@H]1CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000218870340 385625515 /nfs/dbraw/zinc/62/55/15/385625515.db2.gz CIMOVVGNJOIJEJ-RYUDHWBXSA-N 1 3 227.352 0.178 40 0 BCABHO CN1CCC([N@@H+]2CCN[C@H]3CCC[C@@H]32)CC1 ZINC000225717380 388841582 /nfs/dbraw/zinc/84/15/82/388841582.db2.gz XANNMPQJDUHBRQ-STQMWFEESA-N 1 3 223.364 0.907 40 0 BCABHO CN1CCC([N@H+]2CCN[C@H]3CCC[C@@H]32)CC1 ZINC000225717380 388841584 /nfs/dbraw/zinc/84/15/84/388841584.db2.gz XANNMPQJDUHBRQ-STQMWFEESA-N 1 3 223.364 0.907 40 0 BCABHO C[N@@H+]1CCC[C@H](CN(CCO)C2CC2)C1 ZINC000079423116 173042062 /nfs/dbraw/zinc/04/20/62/173042062.db2.gz WCDYQQFVBHDSCG-NSHDSACASA-N 1 3 212.337 0.785 40 0 BCABHO C[N@H+]1CCC[C@H](CN(CCO)C2CC2)C1 ZINC000079423116 173042064 /nfs/dbraw/zinc/04/20/64/173042064.db2.gz WCDYQQFVBHDSCG-NSHDSACASA-N 1 3 212.337 0.785 40 0 BCABHO CN1CC[C@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828870 173158901 /nfs/dbraw/zinc/15/89/01/173158901.db2.gz GUFDQPOXHREQJA-QMMMGPOBSA-N 1 3 210.281 0.380 40 0 BCABHO C[N@H+](C1CC1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000248045095 522408994 /nfs/dbraw/zinc/40/89/94/522408994.db2.gz MBGOCQJKVLQHJV-MGCOHNPYSA-N 1 3 225.336 0.467 40 0 BCABHO C[N@@H+](C1CC1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000248045095 522409006 /nfs/dbraw/zinc/40/90/06/522409006.db2.gz MBGOCQJKVLQHJV-MGCOHNPYSA-N 1 3 225.336 0.467 40 0 BCABHO Cc1nc(N2CCNCC2)ccc1C[NH3+] ZINC000072224616 259321741 /nfs/dbraw/zinc/32/17/41/259321741.db2.gz NZZAZAQVLIXJHA-UHFFFAOYSA-N 1 3 206.293 0.258 40 0 BCABHO CN1CC[C@H](O)[C@H](C[C@@H]2CCCC[NH2+]2)C1 ZINC000242522417 259326157 /nfs/dbraw/zinc/32/61/57/259326157.db2.gz ISBDAGONLADELG-WOPDTQHZSA-N 1 3 212.337 0.831 40 0 BCABHO CCN(CC)C(=O)CN1CCC(C[NH3+])CC1 ZINC000019843233 342959586 /nfs/dbraw/zinc/95/95/86/342959586.db2.gz STBWBWGOJWTWFH-UHFFFAOYSA-N 1 3 227.352 0.526 40 0 BCABHO CCCCN(C)C(=O)CN1CCC(C[NH3+])CC1 ZINC000260469025 343131735 /nfs/dbraw/zinc/13/17/35/343131735.db2.gz JIVZJWPFYWGYOZ-UHFFFAOYSA-N 1 3 241.379 0.916 40 0 BCABHO CC(C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484888 343310456 /nfs/dbraw/zinc/31/04/56/343310456.db2.gz YQYUNIJMUFIMHF-UWVGGRQHSA-N 1 3 213.325 0.038 40 0 BCABHO CC(C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484888 343310457 /nfs/dbraw/zinc/31/04/57/343310457.db2.gz YQYUNIJMUFIMHF-UWVGGRQHSA-N 1 3 213.325 0.038 40 0 BCABHO CN(C(=O)[C@@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000019408424 343773802 /nfs/dbraw/zinc/77/38/02/343773802.db2.gz XPJIZEUYWMHBTF-LLVKDONJSA-N 1 3 239.363 0.539 40 0 BCABHO C(C1CC1)[N@@H+]1CCOC[C@H]2CNCC[C@@H]21 ZINC000409422209 343812812 /nfs/dbraw/zinc/81/28/12/343812812.db2.gz BXMFUKKNXYSGGE-NEPJUHHUSA-N 1 3 210.321 0.707 40 0 BCABHO C(C1CC1)[N@H+]1CCOC[C@H]2CNCC[C@@H]21 ZINC000409422209 343812814 /nfs/dbraw/zinc/81/28/14/343812814.db2.gz BXMFUKKNXYSGGE-NEPJUHHUSA-N 1 3 210.321 0.707 40 0 BCABHO C(C1CC1)N1CCOC[C@H]2C[NH2+]CC[C@@H]21 ZINC000409422209 343812816 /nfs/dbraw/zinc/81/28/16/343812816.db2.gz BXMFUKKNXYSGGE-NEPJUHHUSA-N 1 3 210.321 0.707 40 0 BCABHO CCC[C@H]1C[N@H+](CCCN)CC[C@@H]1O ZINC000409435090 343836028 /nfs/dbraw/zinc/83/60/28/343836028.db2.gz SHABCNHOKJBKPS-QWRGUYRKSA-N 1 3 200.326 0.818 40 0 BCABHO CCC[C@H]1C[N@@H+](CCCN)CC[C@@H]1O ZINC000409435090 343836031 /nfs/dbraw/zinc/83/60/31/343836031.db2.gz SHABCNHOKJBKPS-QWRGUYRKSA-N 1 3 200.326 0.818 40 0 BCABHO CCC[C@H]1C[N@H+](CCCN)CC[C@H]1O ZINC000409435091 343836314 /nfs/dbraw/zinc/83/63/14/343836314.db2.gz SHABCNHOKJBKPS-WDEREUQCSA-N 1 3 200.326 0.818 40 0 BCABHO CCC[C@H]1C[N@@H+](CCCN)CC[C@H]1O ZINC000409435091 343836315 /nfs/dbraw/zinc/83/63/15/343836315.db2.gz SHABCNHOKJBKPS-WDEREUQCSA-N 1 3 200.326 0.818 40 0 BCABHO [NH3+]CCN1CCN([C@H]2CCSC2)CC1 ZINC000257755931 345781443 /nfs/dbraw/zinc/78/14/43/345781443.db2.gz OPHSDHJPLZZHIU-JTQLQIEISA-N 1 3 215.366 0.068 40 0 BCABHO CNc1cc(NCC[NH+](C)C)nc(C)n1 ZINC000087807378 345941954 /nfs/dbraw/zinc/94/19/54/345941954.db2.gz AYKIOTAUFUXWNM-UHFFFAOYSA-N 1 3 209.297 0.800 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000079419556 188118009 /nfs/dbraw/zinc/11/80/09/188118009.db2.gz VMSUZKNSTJAMPL-RYUDHWBXSA-N 1 3 241.379 0.912 40 0 BCABHO C[NH+](C)C1CCC(N(C(=O)CN)C2CC2)CC1 ZINC000079407072 384135320 /nfs/dbraw/zinc/13/53/20/384135320.db2.gz SGMTZQZAGCMSLI-UHFFFAOYSA-N 1 3 239.363 0.809 40 0 BCABHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CN)C1 ZINC000079415157 384136553 /nfs/dbraw/zinc/13/65/53/384136553.db2.gz MRKSBRCQDFPUEY-ZDUSSCGKSA-N 1 3 247.342 0.678 40 0 BCABHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CN)C1 ZINC000079415157 384136559 /nfs/dbraw/zinc/13/65/59/384136559.db2.gz MRKSBRCQDFPUEY-ZDUSSCGKSA-N 1 3 247.342 0.678 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407113 384137309 /nfs/dbraw/zinc/13/73/09/384137309.db2.gz WBVLEMOBQLWAOK-GUBZILKMSA-N 1 3 213.325 0.323 40 0 BCABHO CCN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H](N)C(C)C ZINC000079407569 384137395 /nfs/dbraw/zinc/13/73/95/384137395.db2.gz MJBKSWLKZOCHTK-NEPJUHHUSA-N 1 3 241.379 0.912 40 0 BCABHO CCN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H](N)C(C)C ZINC000079407569 384137405 /nfs/dbraw/zinc/13/74/05/384137405.db2.gz MJBKSWLKZOCHTK-NEPJUHHUSA-N 1 3 241.379 0.912 40 0 BCABHO CCN(CCO)C[C@H]1CCC[N@H+](C)C1 ZINC000079405975 384137480 /nfs/dbraw/zinc/13/74/80/384137480.db2.gz SMIDHRVTQIJRDY-NSHDSACASA-N 1 3 200.326 0.642 40 0 BCABHO CCN(CCO)C[C@H]1CCC[N@@H+](C)C1 ZINC000079405975 384137486 /nfs/dbraw/zinc/13/74/86/384137486.db2.gz SMIDHRVTQIJRDY-NSHDSACASA-N 1 3 200.326 0.642 40 0 BCABHO CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CN ZINC000079419325 384142685 /nfs/dbraw/zinc/14/26/85/384142685.db2.gz YPFKVPFHGAPQJY-NSHDSACASA-N 1 3 227.352 0.666 40 0 BCABHO CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN ZINC000079419325 384142688 /nfs/dbraw/zinc/14/26/88/384142688.db2.gz YPFKVPFHGAPQJY-NSHDSACASA-N 1 3 227.352 0.666 40 0 BCABHO C[N@H+](C[C@@H]1CCCN1C(=O)CN)C1CC1 ZINC000079419359 384142949 /nfs/dbraw/zinc/14/29/49/384142949.db2.gz HUKSUYKXKDHYBA-JTQLQIEISA-N 1 3 211.309 0.030 40 0 BCABHO C[N@@H+](C[C@@H]1CCCN1C(=O)CN)C1CC1 ZINC000079419359 384142954 /nfs/dbraw/zinc/14/29/54/384142954.db2.gz HUKSUYKXKDHYBA-JTQLQIEISA-N 1 3 211.309 0.030 40 0 BCABHO C[C@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000079419403 384142971 /nfs/dbraw/zinc/14/29/71/384142971.db2.gz LJBQNZXSPGCRRL-UWVGGRQHSA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[N@H+](C)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079419315 384144925 /nfs/dbraw/zinc/14/49/25/384144925.db2.gz KDGSTDXFAATHGU-SNVBAGLBSA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079419315 384144931 /nfs/dbraw/zinc/14/49/31/384144931.db2.gz KDGSTDXFAATHGU-SNVBAGLBSA-N 1 3 213.325 0.276 40 0 BCABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[NH+](C)C)C1 ZINC000079419564 384145475 /nfs/dbraw/zinc/14/54/75/384145475.db2.gz FHTGPUYNVHQKRN-RYUDHWBXSA-N 1 3 241.379 0.770 40 0 BCABHO C[C@H](N)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC000100202326 384280794 /nfs/dbraw/zinc/28/07/94/384280794.db2.gz HRHHREQZTRBMOL-GUBZILKMSA-N 1 3 213.325 0.323 40 0 BCABHO CC(C)[N@H+](C)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100178287 384282719 /nfs/dbraw/zinc/28/27/19/384282719.db2.gz QURGNXSTQKULGJ-PHIMTYICSA-N 1 3 227.352 0.713 40 0 BCABHO CC(C)[N@@H+](C)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100178287 384282721 /nfs/dbraw/zinc/28/27/21/384282721.db2.gz QURGNXSTQKULGJ-PHIMTYICSA-N 1 3 227.352 0.713 40 0 BCABHO NC(=O)C1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000019686357 384532242 /nfs/dbraw/zinc/53/22/42/384532242.db2.gz FERFMNWEGJKJEX-UHFFFAOYSA-N 1 3 247.342 0.843 40 0 BCABHO [NH3+]C[C@H]1[C@H]2CN(Cc3cccnc3)C[C@@H]12 ZINC000107745753 384997925 /nfs/dbraw/zinc/99/79/25/384997925.db2.gz WDHCBXZNVPBORX-ZSBIGDGJSA-N 1 3 203.289 0.718 40 0 BCABHO CC1CC[NH+](C[C@@H](O)CNC2CC2)CC1 ZINC000036950325 385591409 /nfs/dbraw/zinc/59/14/09/385591409.db2.gz BHSQSJCFPHBYNB-LBPRGKRZSA-N 1 3 212.337 0.831 40 0 BCABHO CN1CCC([NH2+][C@H]2CCCC[C@@H]2N)CC1 ZINC000225720419 388843071 /nfs/dbraw/zinc/84/30/71/388843071.db2.gz RCWJXZXIEZZDJZ-RYUDHWBXSA-N 1 3 211.353 0.940 40 0 BCABHO Cn1ccnc1N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306126901 135368890 /nfs/dbraw/zinc/36/88/90/135368890.db2.gz FIKNSLVFMNFIIH-JTQLQIEISA-N 1 3 236.319 0.743 40 0 BCABHO CCOC(=O)CCNCCC[NH+](C)C ZINC000036667767 170209345 /nfs/dbraw/zinc/20/93/45/170209345.db2.gz PQKVRAZVLWHBNS-UHFFFAOYSA-N 1 3 202.298 0.481 40 0 BCABHO CN1CCC[C@H](c2nnc3n2CC[N@@H+](C)CC3)C1 ZINC000072352745 173173965 /nfs/dbraw/zinc/17/39/65/173173965.db2.gz FJMYXAHEWDAZNE-NSHDSACASA-N 1 3 249.362 0.575 40 0 BCABHO CN1CCC[C@H](c2nnc3n2CC[N@H+](C)CC3)C1 ZINC000072352745 173173968 /nfs/dbraw/zinc/17/39/68/173173968.db2.gz FJMYXAHEWDAZNE-NSHDSACASA-N 1 3 249.362 0.575 40 0 BCABHO C[NH2+]CCN(CCOC)C1CCN(C)CC1 ZINC000096523942 173354789 /nfs/dbraw/zinc/35/47/89/173354789.db2.gz BHHQXJAWBAJGJH-UHFFFAOYSA-N 1 3 229.368 0.248 40 0 BCABHO C[C@@H]1C[C@@H]([NH2+]CCN(C)C)[C@@H](C)CN1C ZINC000102759958 177239621 /nfs/dbraw/zinc/23/96/21/177239621.db2.gz KXVDQAXQVMYJPY-QJPTWQEYSA-N 1 3 213.369 0.866 40 0 BCABHO C[C@@H]1C[C@@H](NCCN(C)C)[C@@H](C)C[N@@H+]1C ZINC000102759958 177239622 /nfs/dbraw/zinc/23/96/22/177239622.db2.gz KXVDQAXQVMYJPY-QJPTWQEYSA-N 1 3 213.369 0.866 40 0 BCABHO C[C@@H]1C[C@@H](NCCN(C)C)[C@@H](C)C[N@H+]1C ZINC000102759958 177239624 /nfs/dbraw/zinc/23/96/24/177239624.db2.gz KXVDQAXQVMYJPY-QJPTWQEYSA-N 1 3 213.369 0.866 40 0 BCABHO